474	466	474	0:SP3_SP3_SP3	C[3x5,3x6]	C[6]	C[3x5,3x6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,6,6]C[3x5,6,6]C[3x5]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){2|O<1>,4|H<1>,5|C<4>}	119.4910	0.045	2	119.4910	0.002	2	119.4910	0.002	2	119.4910	0.002	2	119.4910	0.002	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,4x6]	C[6,6]	C[3x5,3x6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,4x6]-4:C[3x6]-4:H-1:H-1:	C[3x5,4x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H)	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2{1|O<1>,2|C<3>,5|H<1>,6|C<4>}	C[3x5,3x6](C[3x5,4x6]C[3x5,5x6]C[5,5]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5,6,6]H)(C[3x5,6,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,5x6]	C[6,6]	C[3x5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[3x5,6,6]-4:H-1:	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H)	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	C[3x5,3x6](C[3x5,5x6]C[3x5,4x6]C[5,5,6,6]C[6,6])(C[3x5,6,6]C[3x5,6,6]C[5,5]H)2(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:3:4:4:	4:3:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH){1|Sn<4>,4|C<3>,5|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.4600	0.387	2	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:3:4:4:	4:3:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,3|C<3>,6|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	118.4600	0.387	2	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:3:4:4:	4:4:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,1|C<4>,2|C<3>,7|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:4:3:4:	4:3:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:4:3:4:	4:4:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6,6]	C[6]	C[4x5]	4:4:4:3:	4:3:1:1:	4:4:2:2:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	118.4897	0.288	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	111.1993	0.626	4	111.1993	0.392	4	111.1993	0.392	4	111.1993	0.392	4	116.4931	35.240	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H){4|H<1>,6|C<4>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	116.4931	35.240	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[3,5]-4:C[5,5]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H){1|O<2>,4|C<4>,7|H<1>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.0818	0.478	5	116.4931	35.240	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<4>,2|O<2>,5|H<1>}	121.8785	0.601	4	121.8785	0.361	4	121.8785	0.361	4	122.0818	0.478	5	116.4931	35.240	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[4x5,6,6]	4:2:4:4:	4:4:3:1:	4:4:4:2:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[5,6]-2:	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6])	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6]){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6]	4:4:4:1:	4:3:3:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.5940	0.591	4	120.5940	0.350	4	120.5940	0.350	4	120.5940	0.350	4	119.0327	2.983	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	119.0327	2.983	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6]	4:4:4:1:	4:3:3:3:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	119.0327	2.983	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	119.0327	2.983	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6]	4:4:4:1:	4:3:4:3:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	119.0327	2.983	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	114.0320	0.058	2	113.7004	0.338	5	113.7004	0.338	5	113.7004	0.338	5	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	113.0380	0.000	1	113.7004	0.338	5	113.7004	0.338	5	113.7004	0.338	5	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	113.7000	0.832	2	113.7004	0.338	5	113.7004	0.338	5	113.7004	0.338	5	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	118.4340	0.000	1	118.4340	0.000	1	118.4340	0.000	1	118.4340	0.000	1	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:3:2:2:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:2:2:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	113.1180	0.000	1	112.1123	4.559	3	111.9395	3.159	4	111.9395	3.159	4	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:2:2:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	111.6095	2.757	2	112.1123	4.559	3	111.9395	3.159	4	111.9395	3.159	4	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:2:2:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	111.4210	0.000	1	111.4210	0.000	1	111.9395	3.159	4	111.9395	3.159	4	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:2:2:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	113.6600	4.165	14	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:3:4:	4:3:3:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2	C[5,3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	109.9166	1.518	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	109.3795	0.318	4	109.3795	0.101	4	109.3795	0.101	4	109.9166	1.518	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:3:2:2:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:2:2:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	114.9530	0.000	1	114.9530	0.000	1	114.2004	0.292	5	114.2004	0.292	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:2:2:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	114.1850	0.000	1	113.9460	0.203	3	114.2004	0.292	5	114.2004	0.292	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:2:2:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	113.8265	0.566	2	113.9460	0.203	3	114.2004	0.292	5	114.2004	0.292	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:2:2:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	114.2110	0.000	1	114.2110	0.000	1	114.2004	0.292	5	114.2004	0.292	5	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	111.5740	0.000	1	111.5740	0.000	1	112.3178	0.247	6	112.3178	0.247	6	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	112.1140	0.000	1	112.1140	0.000	1	112.3178	0.247	6	112.3178	0.247	6	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	112.6120	0.000	1	112.6120	0.000	1	112.3178	0.247	6	112.3178	0.247	6	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	112.7140	0.471	2	112.7140	0.222	2	112.3178	0.247	6	112.3178	0.247	6	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	112.1790	0.000	1	112.1790	0.000	1	112.3178	0.247	6	112.3178	0.247	6	112.0547	4.392	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5]	4:4:4:4:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH)	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH){2|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[4x5,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:2:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[5,6]-2:	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6])	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6]){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	124.6745	0.211	2	124.1423	0.872	3	123.7413	1.225	4	123.7413	1.225	4	120.1010	16.539	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	123.0780	0.000	1	124.1423	0.872	3	123.7413	1.225	4	123.7413	1.225	4	120.1010	16.539	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	122.5380	0.000	1	122.5380	0.000	1	123.7413	1.225	4	123.7413	1.225	4	120.1010	16.539	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	117.6940	0.000	2	117.6940	0.000	2	117.6940	0.000	2	117.6940	0.000	2	120.1010	16.539	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	115.2275	0.023	2	115.2275	0.001	2	115.2275	0.001	2	115.2275	0.001	2	120.1010	16.539	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	111.5260	0.000	2	111.5260	0.000	2	111.5260	0.000	2	111.5260	0.000	2	114.9350	23.496	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:2:1:	4:3:4:1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	114.2920	2.059	2	114.2920	4.240	2	114.2920	4.240	2	114.2920	4.240	2	114.9350	23.496	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	114.9350	23.496	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	115.1100	0.000	1	115.1100	0.000	1	115.1100	0.000	1	115.1100	0.000	1	115.1100	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	115.2823	30.295	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	115.2823	30.295	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	115.2823	30.295	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	114.5310	0.000	1	114.5310	0.000	1	114.5310	0.000	1	114.5310	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:4:4:4:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.0335	0.083	2	113.0335	0.007	2	113.0335	0.007	2	113.0335	0.007	2	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6,6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.1314	1.429	7	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	111.4690	1.592	3	111.4690	2.533	3	111.1886	1.434	5	111.1314	1.429	7	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6,6]H)(H)2{1|N<3>,2|H<1>,6|C<4>}	110.7680	0.286	2	110.7680	0.082	2	111.1886	1.434	5	111.1314	1.429	7	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,5,4x6]C[6,6]H)(C[5,5,6]C[5,5,6,6]C[5,6]H)(H)2{1|N<4>,3|H<1>,5|C<4>}	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	111.1314	1.429	7	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,6|C<4>}	112.1070	0.431	2	112.9090	0.954	4	112.9090	0.954	4	112.9090	0.954	4	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,4x6]C[5,5,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	113.7110	0.322	2	112.9090	0.954	4	112.9090	0.954	4	112.9090	0.954	4	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	119.6035	0.650	2	119.6035	0.422	2	119.6035	0.422	2	119.6035	0.422	2	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:3:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	110.3135	0.004	2	110.3135	0.000	2	110.3135	0.000	2	110.3135	0.000	2	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	109.4243	0.595	3	109.4243	0.354	3	109.4243	0.354	3	109.4243	0.354	3	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	116.1280	0.000	1	116.1280	0.000	1	116.1280	0.000	1	116.1280	0.000	1	112.6413	12.402	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:2:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.7060	0.000	1	118.7060	0.000	1	118.7060	0.000	1	118.7060	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:2:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	117.6740	1.636	2	116.9740	2.809	3	116.9740	2.809	3	116.8050	1.987	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:2:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	115.5740	0.000	1	116.9740	2.809	3	116.9740	2.809	3	116.8050	1.987	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:2:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	116.8050	1.987	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	117.7020	0.000	2	116.8612	1.333	8	116.8612	1.333	8	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	116.2286	0.965	5	116.8612	1.333	8	116.8612	1.333	8	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	118.3430	0.000	1	116.8612	1.333	8	116.8612	1.333	8	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	116.3990	0.000	1	116.5087	0.027	4	116.5087	0.027	4	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	116.5453	0.178	3	116.5087	0.027	4	116.5087	0.027	4	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	116.7963	0.848	13	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:3:4:	4:4:1:1:	4:4:4:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2	C[5,3x6](N[5,6,6]C[6,6]S[5])(C[6,6]C[6,6]HH)2(C[5]O[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2{2|O<1>,3|C<4>,4|H<1>}	114.3505	0.217	2	114.3505	0.047	2	114.3505	0.047	2	114.3505	0.047	2	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:N[5]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)2(C[5]N[5]HH){1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	114.5900	1.195	2	114.5900	1.428	2	114.5900	1.428	2	114.5900	1.428	2	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	114.3380	0.000	2	114.3380	0.000	2	114.3380	0.000	2	113.3697	2.813	3	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|C<4>}	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	113.3697	2.813	3	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2{4|C<4>,5|H<1>}	109.6170	0.000	1	109.6170	0.000	1	116.3570	90.855	2	115.2050	38.199	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2{4|C<4>,5|H<1>}	123.0970	0.000	1	123.0970	0.000	1	116.3570	90.855	2	115.2050	38.199	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:N[5,5]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	114.0530	4.294	2	114.0530	18.435	2	114.0530	18.435	2	115.2050	38.199	4	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	111.7960	0.000	1	112.2690	0.447	2	112.0617	0.353	3	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	112.7420	0.000	1	112.2690	0.447	2	112.0617	0.353	3	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	111.6470	0.000	1	111.6470	0.000	1	112.0617	0.353	3	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	108.7680	0.000	1	108.7680	0.000	1	112.0023	10.016	4	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	109.8470	0.000	1	109.8470	0.000	1	112.0023	10.016	4	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	115.1550	0.000	1	114.6970	0.420	2	112.0023	10.016	4	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	114.2390	0.000	1	114.6970	0.420	2	112.0023	10.016	4	112.0277	5.127	7	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	113.5940	0.000	1	113.5940	0.000	1	113.5940	0.000	1	113.5940	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:2:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	113.0470	0.000	1	113.0470	0.000	1	112.7480	0.179	2	112.7480	0.179	2	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	112.4490	0.000	1	112.4490	0.000	1	112.7480	0.179	2	112.7480	0.179	2	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	114.7618	9.173	47	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:3:	4:4:2:1:	4:4:2:2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	114.0890	0.996	4	114.0890	0.993	4	114.0890	0.993	4	114.0890	0.993	4	113.7601	4.096	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	113.7601	4.096	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:3:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	115.1600	0.560	2	115.1600	0.314	2	115.1600	0.314	2	115.1600	0.314	2	113.7601	4.096	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,4x6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	115.9780	0.514	3	115.9780	0.264	3	115.9780	0.264	3	115.9780	0.264	3	115.9780	0.264	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3){4|C<4>,4|H<1>,5|O<2>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,3x6]C[5,3x6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.5900	0.462	6	113.5900	0.214	6	113.5900	0.214	6	113.5593	0.179	8	113.7668	0.333	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[3,5,5]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H)	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	113.4670	0.406	2	113.4670	0.165	2	113.4670	0.165	2	113.5593	0.179	8	113.7668	0.333	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	114.5970	0.134	2	114.5970	0.018	2	114.5970	0.018	2	114.5970	0.018	2	113.7668	0.333	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	114.4820	0.000	1	114.4820	0.000	1	115.1113	0.326	3	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	115.2570	0.000	1	115.2570	0.000	1	115.1113	0.326	3	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	115.5950	0.000	1	115.5950	0.000	1	115.1113	0.326	3	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	114.8390	0.000	1	116.6509	1.634	7	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	116.4038	0.826	4	116.6509	1.634	7	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	118.4460	0.000	1	116.6509	1.634	7	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	117.6560	0.000	1	116.6509	1.634	7	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	115.8960	1.637	3	115.8960	2.679	3	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	116.4560	0.000	1	116.4560	0.000	1	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	116.9335	2.048	4	117.4200	4.329	5	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	119.3660	0.000	1	117.4200	4.329	5	116.7375	2.471	16	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	116.4727	2.338	20	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	117.4640	0.000	1	117.4640	0.000	1	117.4640	0.000	1	117.4640	0.000	1	116.4210	2.375	22	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-3:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.9890	0.000	1	112.7165	0.866	4	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	112.2923	0.468	3	112.7165	0.866	4	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.2810	0.000	1	112.1768	0.099	6	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.2290	0.000	1	112.1768	0.099	6	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.3505	0.275	2	112.1768	0.099	6	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.9250	0.467	2	112.1768	0.099	6	112.3927	0.421	10	112.3927	0.421	10	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	111.3500	0.000	1	111.3500	0.000	1	111.7965	0.424	20	111.7965	0.424	20	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.7965	0.424	20	111.7965	0.424	20	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	112.3086	0.309	9	111.9121	0.405	17	111.7965	0.424	20	111.7965	0.424	20	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	111.4660	0.622	8	111.9121	0.405	17	111.7965	0.424	20	111.7965	0.424	20	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.0540	0.000	1	111.0540	0.000	1	111.7965	0.424	20	111.7965	0.424	20	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	111.8040	0.000	1	111.8973	0.008	3	111.8973	0.008	3	111.8973	0.008	3	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	111.9440	0.051	2	111.8973	0.008	3	111.8973	0.008	3	111.8973	0.008	3	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	115.8180	0.000	1	115.8180	0.000	1	115.8180	0.000	1	115.8180	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:Cl-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cl<1>,2|O<1>,4|C<4>,7|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl){1|C<3>,3|C<4>,7|H<1>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:2:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	113.4450	0.000	1	113.4450	0.000	1	113.3070	0.038	2	113.5492	3.554	5	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{2|C<3>,2|C<4>,6|H<1>}	113.1690	0.000	1	113.1690	0.000	1	113.3070	0.038	2	113.5492	3.554	5	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.5492	3.554	5	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	111.0460	0.000	1	111.0460	0.000	1	113.6900	13.981	2	113.5492	3.554	5	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	116.3340	0.000	1	116.3340	0.000	1	113.6900	13.981	2	113.5492	3.554	5	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	115.3495	0.542	2	115.3495	0.294	2	114.0690	2.333	4	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{4|C<4>,6|H<1>}	112.7885	0.383	2	112.7885	0.146	2	114.0690	2.333	4	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	110.8100	0.000	1	110.8100	0.000	1	112.2900	4.872	3	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	111.2330	0.000	1	111.2330	0.000	1	112.2900	4.872	3	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	114.8270	0.000	1	114.8270	0.000	1	112.2900	4.872	3	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	113.8720	0.000	1	113.8720	0.000	1	113.8720	0.000	1	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	113.8272	4.628	9	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	114.9125	1.660	2	114.9125	2.754	2	113.6393	3.156	4	113.6393	3.156	4	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	112.3660	0.478	2	112.3660	0.228	2	113.6393	3.156	4	113.6393	3.156	4	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	108.5220	0.000	1	107.2214	0.973	7	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	107.0712	0.940	4	107.2214	0.973	7	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	106.1100	0.000	1	107.2214	0.973	7	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	107.6330	0.000	1	107.2214	0.973	7	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	107.8070	0.000	1	107.8070	0.000	1	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	107.2123	0.102	3	107.2123	0.011	3	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	108.5150	0.109	4	108.5150	0.012	4	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	104.9120	0.000	1	104.9120	0.000	1	107.4354	1.169	16	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	108.4870	0.000	1	108.4870	0.000	1	108.4805	0.000	2	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	108.4740	0.000	1	108.4740	0.000	1	108.4805	0.000	2	107.5515	1.145	18	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	108.3905	0.404	2	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	108.3905	0.404	2	111.4293	7.587	78	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[4x6]C[6])(C[5]C[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	113.0718	7.874	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	114.1336	1.387	5	113.0718	7.874	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	114.5867	0.693	4	114.5867	0.480	4	114.5867	0.480	4	114.1336	1.387	5	113.0718	7.874	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	119.3410	0.000	1	115.5405	18.582	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:4:	4:3:4:4:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	115.5405	18.582	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	115.5405	18.582	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[5,4x6]-4:C[5]-4:H-1:H-1:	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[5](C[5,4x6]C[5,3x6]C[3x6]2)(C[5]O[5]HO)(H)2{1|H<1>,1|N<3>,6|C<4>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	115.5405	18.582	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:3:2:2:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	125.1280	0.000	1	125.1280	0.000	1	125.1280	0.000	1	125.1280	0.000	1	125.5755	0.401	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	125.5755	0.401	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	121.8635	1.191	2	121.8635	1.420	2	121.9100	0.716	3	121.9100	0.716	3	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	122.0030	0.000	1	122.0030	0.000	1	121.9100	0.716	3	121.9100	0.716	3	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	119.9297	8.436	4	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,3x6]-4:C[3,6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH){1|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	121.3800	0.187	3	121.3800	0.035	3	121.3800	0.035	3	119.9297	8.436	4	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	120.1365	6.946	11	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	115.2277	2.207	3	115.2277	4.871	3	115.2277	4.871	3	115.2277	4.871	3	113.8004	8.776	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	113.8004	8.776	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	113.8004	8.776	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	110.6510	0.000	1	114.0895	23.647	2	114.0895	23.647	2	114.0895	23.647	2	113.8004	8.776	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	117.5280	0.000	1	114.0895	23.647	2	114.0895	23.647	2	114.0895	23.647	2	113.8004	8.776	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	112.9020	0.000	1	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	110.8260	0.000	1	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	111.8340	0.000	1	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	112.1130	0.000	1	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	112.2550	0.273	2	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	112.2990	0.000	1	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	112.6027	1.154	3	112.2292	0.639	10	112.2292	0.639	10	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	112.1278	0.688	11	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:2:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[4,4x6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	116.0040	0.000	1	116.0040	0.000	1	116.0040	0.000	1	113.3987	10.001	3	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	113.3987	10.001	3	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	113.3987	10.001	3	112.5370	2.423	17	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[3x6]	C[5,5,6]	4:4:4:3:	4:3:3:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,5,3x6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	121.1375	0.250	2	121.1375	0.062	2	121.1375	0.062	2	121.1375	0.062	2	121.1375	0.062	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:3:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	119.5515	9.835	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	119.5515	9.835	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5]	3:4:3:4:	4:4:4:3:	4:3:4:1:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	123.3530	0.000	1	123.3530	0.000	1	123.3530	0.000	1	123.3530	0.000	1	123.3530	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	115.3265	0.026	2	115.3265	0.001	2	115.3265	0.001	2	115.3265	0.001	2	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	114.1330	0.000	2	114.1330	0.000	2	114.1330	0.000	2	114.1330	0.000	2	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	114.4870	0.000	1	115.2673	1.356	3	115.1815	0.934	4	115.1815	0.934	4	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	116.6060	0.000	1	115.2673	1.356	3	115.1815	0.934	4	115.1815	0.934	4	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	114.7090	0.000	1	115.2673	1.356	3	115.1815	0.934	4	115.1815	0.934	4	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	114.9240	0.000	1	114.9240	0.000	1	115.1815	0.934	4	115.1815	0.934	4	114.9556	0.662	8	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6,6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	119.9770	0.037	2	119.9770	0.001	2	119.9770	0.001	2	119.9770	0.001	2	116.3625	8.208	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	113.8775	0.086	2	113.8775	0.007	2	113.8775	0.007	2	113.8775	0.007	2	116.3625	8.208	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	115.2330	0.000	2	115.2330	0.000	2	115.2330	0.000	2	115.2330	0.000	2	116.3625	8.208	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	120.0023	0.994	3	120.0023	0.989	3	120.0023	0.989	3	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	116.4780	1.943	2	117.0970	3.037	3	117.1795	2.052	4	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	118.3350	0.000	1	117.0970	3.037	3	117.1795	2.052	4	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	117.4270	0.000	1	117.4270	0.000	1	117.1795	2.052	4	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	120.2380	0.212	2	120.2380	0.045	2	120.2380	0.045	2	118.7163	3.088	10	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[3,5,5,6]-4:C[5,5,3x6]-4:C[5]-4:H-1:	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	114.2145	0.220	2	114.2145	0.048	2	114.2145	0.048	2	114.2145	0.048	2	117.9660	5.601	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,4x6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,5,4x6]-4:C[6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2{4|H<1>,7|C<4>}	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5]	4:3:4:4:	4:3:3:4:	4:4:1:1:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	114.0950	1.381	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5]	4:4:3:4:	4:3:3:1:	4:4:1:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	114.9260	0.000	1	114.9260	0.000	1	114.9260	0.000	1	114.9260	0.000	1	114.0950	1.381	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[3x5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2{4|C<3>,5|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.7855	0.069	2	110.8143	0.005	3	110.8143	0.005	3	110.8143	0.005	3	112.4726	8.178	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	110.8720	0.000	1	110.8143	0.005	3	110.8143	0.005	3	110.8143	0.005	3	112.4726	8.178	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:3:4:4:	4:4:4:1:	4:4:4:1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.2755	0.254	2	112.0283	0.215	3	112.0283	0.215	3	112.0283	0.215	3	112.4726	8.178	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:3:4:4:	4:4:4:1:	4:4:4:1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6,6]C[6,6])(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	111.5340	0.000	1	112.0283	0.215	3	112.0283	0.215	3	112.0283	0.215	3	112.4726	8.178	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	112.4726	8.178	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:3:1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:4:1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:Cl-1:	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl)	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	124.4720	0.000	1	124.4720	0.000	1	124.4720	0.000	1	122.1401	1.019	9	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:4:1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	121.4123	0.338	3	121.4123	0.114	3	121.8486	0.291	8	122.1401	1.019	9	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:4:1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	122.1104	0.472	5	122.1104	0.223	5	121.8486	0.291	8	122.1401	1.019	9	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:4:2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	120.5100	0.000	1	122.5041	0.783	8	122.5041	0.783	8	122.5041	0.783	8	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:3:4:	4:4:4:4:	4:3:4:2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	122.7890	0.395	7	122.5041	0.783	8	122.5041	0.783	8	122.5041	0.783	8	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:3:4:3:	4:4:3:1:	4:3:4:2:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	C[5,5,6,6]-4:C[6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6])	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	121.7622	2.875	20	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2{1|C<3>,3|H<1>,5|C<4>}	118.3115	0.378	2	118.3115	0.143	2	118.3115	0.143	2	118.3115	0.143	2	117.7417	0.481	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6]C[5,5,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	117.1720	0.051	2	117.1720	0.003	2	117.1720	0.003	2	117.1720	0.003	2	117.7417	0.481	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5]	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	110.4426	8.412	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	110.4426	8.412	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6,6]C[5,5,6]2C[6,6])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	110.0750	0.382	2	110.0750	0.146	2	110.0750	0.146	2	110.0750	0.146	2	110.4426	8.412	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O-2:O-2:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2{1|O<2>,4|C<4>,5|H<1>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	110.4426	8.412	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6]	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	120.6320	3.477	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	121.3680	0.000	1	121.2110	0.049	2	121.2110	0.049	2	121.2110	0.049	2	120.6320	3.477	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	121.0540	0.000	1	121.2110	0.049	2	121.2110	0.049	2	121.2110	0.049	2	120.6320	3.477	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6]	4:4:3:4:	4:4:1:1:	4:4:2:3:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	120.6320	3.477	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	114.9640	0.064	2	114.9640	0.004	2	114.9640	0.004	2	114.9640	0.004	2	114.9640	0.004	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:2:1:1:	4:4:3:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.1500	0.399	2	119.1500	0.159	2	119.3257	0.172	3	119.3257	0.172	3	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:2:1:1:	4:4:3:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	119.6770	0.000	1	119.6770	0.000	1	119.3257	0.172	3	119.3257	0.172	3	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:3:1:1:	4:4:3:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	118.5645	0.472	2	118.5645	0.222	2	118.5645	0.222	2	118.1840	0.546	3	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:3:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	118.1840	0.546	3	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	115.7324	0.266	5	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	115.3475	0.148	2	115.3475	0.022	2	115.5577	0.152	4	115.7324	0.266	5	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	115.4100	0.000	1	115.7680	0.256	2	115.5577	0.152	4	115.7324	0.266	5	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	116.1260	0.000	1	115.7680	0.256	2	115.5577	0.152	4	115.7324	0.266	5	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:3:1:	4:4:3:1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]N[5,6]C[6])(C[5,5,6]C[5,6]2H)(C[6,6]C[6]N[6])(C[6]C[6]HH){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6]HH)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	114.6010	0.048	2	114.6010	0.002	2	114.6010	0.002	2	114.6010	0.002	2	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	115.6965	0.395	2	115.6965	0.156	2	115.6965	0.156	2	115.6965	0.156	2	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:3:1:	4:3:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5]C[6])(C[5,5]C[5,5,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:2:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	114.1930	0.000	1	114.1930	0.000	1	114.1930	0.000	1	114.1930	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){2|O<2>,4|C<4>,8|H<1>}	119.4555	0.163	2	119.2053	0.690	4	119.2053	0.690	4	119.2053	0.690	4	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	118.0080	0.000	1	119.2053	0.690	4	119.2053	0.690	4	119.2053	0.690	4	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){2|O<2>,4|C<4>,8|H<1>}	119.9020	0.000	1	119.2053	0.690	4	119.2053	0.690	4	119.2053	0.690	4	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,4x6]C[6]2)(C[5,6]C[5,3x6]HH)(C[5,6]N[5,6,6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	116.5964	7.076	27	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<2>,2|O<2>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2{1|O<1>,1|S<2>,3|C<4>,3|H<1>}	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:3:4:	4:3:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	120.0971	0.656	8	120.0971	0.431	8	120.0971	0.431	8	120.0971	0.431	8	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:3:4:	4:3:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.5815	0.354	2	125.5815	0.126	2	125.5815	0.126	2	125.5815	0.126	2	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:3:4:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	125.5555	0.261	2	125.5555	0.068	2	125.5555	0.068	2	125.5555	0.068	2	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<2>,9|H<1>}	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	118.0210	0.000	1	118.0210	0.000	1	118.0210	0.000	1	118.0210	0.000	1	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{2|O<2>,4|C<4>,5|H<1>}	121.6190	0.293	2	121.6190	0.086	2	121.6190	0.086	2	121.6190	0.086	2	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(H)2{1|C<3>,5|C<4>,5|H<1>}	117.2150	0.000	1	117.2150	0.000	1	117.2150	0.000	1	117.2150	0.000	1	121.4053	7.320	18	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-3:C[5,5]-3:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	3:4:2:4:	4:4:1:1:	4:4:4:3:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO){1|C<3>,2|C<4>,3|H<1>}	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:Cl-1:Cl-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(H)2{2|Cl<1>,2|C<4>,3|C<3>}	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2{1|F<1>,2|C<3>,3|C<4>,4|H<1>}	115.3830	0.000	1	115.3830	0.000	1	115.1195	0.139	2	115.1195	0.139	2	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.8560	0.000	1	114.8560	0.000	1	115.1195	0.139	2	115.1195	0.139	2	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{3|C<4>,4|H<1>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:3:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO)	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HS)(H)2{1|C<3>,1|H<1>,5|C<4>}	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	112.7110	0.000	1	112.7110	0.000	1	112.7110	0.000	1	112.7110	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	111.1720	0.491	2	111.0770	0.131	4	111.0770	0.131	4	111.0770	0.131	4	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	110.7400	0.000	1	111.0770	0.131	4	111.0770	0.131	4	111.0770	0.131	4	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	111.2240	0.000	1	111.0770	0.131	4	111.0770	0.131	4	111.0770	0.131	4	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.2537	0.230	3	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	113.0960	0.557	2	113.0960	0.310	2	113.0960	0.310	2	113.2537	0.230	3	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,4|C<4>,4|H<1>}	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	114.9202	11.897	25	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[3x6]	C[3x5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[3x6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[3x5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<4>,8|H<1>}	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:4:	4:4:3:2:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	129.2530	0.000	1	129.2530	0.000	1	129.2530	0.000	1	129.2530	0.000	1	129.2530	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:3:4:3:	4:3:4:4:	4:3:4:2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	117.1170	0.000	1	116.9130	0.083	2	116.9130	0.083	2	116.9130	0.083	2	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:3:4:3:	4:3:4:4:	4:3:4:2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	116.7090	0.000	1	116.9130	0.083	2	116.9130	0.083	2	116.9130	0.083	2	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:3:4:3:	4:4:4:4:	4:3:4:2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	117.7390	0.000	1	118.4085	0.896	2	118.4085	0.896	2	118.4085	0.896	2	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:3:4:3:	4:4:4:4:	4:3:4:2:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	C[5,5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C)(C[5,5]C[5]2O)(C[5]O[5]O){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	119.0780	0.000	1	118.4085	0.896	2	118.4085	0.896	2	118.4085	0.896	2	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:3:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(H){2|C<3>,2|C<4>,3|H<1>}	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5]	4:4:3:3:	4:4:3:1:	4:3:4:2:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	117.8145	0.872	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2	C[5,5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6,6])(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[5,5,6]-4:H-1:	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H)	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3x5,6,6](C[3x5,3x6]C[3x5,6,6]C[4x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(C[5,5,6]C[4x5,3x6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,6,6]C[5]H)(C[5,5,6]C[5,6]C[5]H)(H){1|Cl<1>,2|C<4>,9|H<1>}	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	118.6675	0.261	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H)	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,5,6]O[5,6]C[5]H)(C[5,5,6]O[5,6]O[5]H)(H){2|C<4>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	118.3060	0.000	1	118.6675	0.261	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5]	4:3:4:4:	4:3:1:1:	4:4:3:3:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	111.6035	2.290	2	111.6035	5.246	2	111.6035	5.246	2	111.6035	5.246	2	110.6022	2.150	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5]	4:4:3:4:	4:3:1:1:	4:4:3:3:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	109.9347	0.082	3	109.9347	0.007	3	109.9347	0.007	3	109.9347	0.007	3	110.6022	2.150	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](C[5,5,6]C[5,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>}	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]2)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	115.8025	1.382	2	115.8025	1.911	2	115.8025	1.911	2	115.8025	1.911	2	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:3:4:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6,6]CC)(H){2|C<4>,2|O<2>,4|H<1>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:1:1:	4:4:2:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO){1|C<3>,1|C<4>,6|H<1>}	115.4285	0.202	2	115.4285	0.041	2	115.4285	0.041	2	115.4285	0.041	2	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:3:2:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3){2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.3912	6.491	12	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	2:4:4:4:	4:4:2:1:	4:4:4:1:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H)	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6,6]CH)(C[5]C[5]HO)(H){2|H<1>,2|O<2>,5|C<4>}	110.5035	1.336	2	110.5035	1.784	2	110.5035	1.784	2	110.5035	1.784	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|N<3>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:3:4:	4:4:1:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.8860	0.000	1	116.8860	0.000	1	117.0855	0.080	2	117.0855	0.080	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6]-3:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.2850	0.000	1	117.2850	0.000	1	117.0855	0.080	2	117.0855	0.080	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:3:4:1:	4:3:3:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	117.5870	0.513	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:3:4:1:	4:3:3:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	117.1770	0.133	2	117.1770	0.018	2	117.1770	0.018	2	117.5870	0.513	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	113.9285	0.827	2	113.9285	0.683	2	113.9285	0.683	2	113.9285	0.683	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,9|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	112.6210	0.000	1	113.5580	3.207	5	113.5580	3.207	5	113.5580	3.207	5	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,2|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<4>,6|H<1>}	113.7922	1.978	4	113.5580	3.207	5	113.5580	3.207	5	113.5580	3.207	5	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	3:4:4:4:	4:4:4:2:	4:4:4:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H)	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]N[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:3:	4:4:4:1:	4:3:4:1:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,5|C<4>}	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:4:	4:3:1:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:4:	4:3:2:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	114.4840	0.000	1	114.4840	0.000	1	114.4840	0.000	1	114.4840	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:4:	4:4:1:1:	4:2:4:2:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,5]C[5,6]C[5]O[5])(C[5]O[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	114.7780	1.348	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	114.7780	1.348	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:3:	4:4:3:1:	4:3:4:2:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:4:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|H<1>}	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:2:4:	4:3:1:1:	4:3:2:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:2:4:	4:3:1:1:	4:4:2:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:3:2:4:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:3:4:2:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C-2:	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){2|C<4>,4|C<3>,5|H<1>}	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|S<1>,3|C<4>,4|H<1>}	116.5660	0.000	1	116.5660	0.000	1	117.5320	0.712	3	117.5320	0.712	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	118.0150	0.153	2	118.0150	0.023	2	117.5320	0.712	3	117.5320	0.712	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	118.6300	0.215	2	118.6300	0.046	2	118.6300	0.046	2	118.6300	0.046	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[4,5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[4,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	114.0240	0.000	1	114.1867	0.819	6	114.1867	0.819	6	114.1867	0.819	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){2|C<3>,2|O<2>,5|H<1>}	113.6630	0.000	1	114.1867	0.819	6	114.1867	0.819	6	114.1867	0.819	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	114.3582	1.107	4	114.1867	0.819	6	114.1867	0.819	6	114.1867	0.819	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:H-1:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:3:3:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	115.8930	0.000	1	115.8930	0.000	1	115.8930	0.000	1	115.8930	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	113.2360	0.000	1	113.2360	0.000	1	113.2360	0.000	1	113.2360	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[5,5]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.9560	0.000	1	113.7340	0.041	3	113.7340	0.041	3	114.6562	1.658	5	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	113.6230	0.085	2	113.7340	0.041	3	113.7340	0.041	3	114.6562	1.658	5	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	116.0395	0.415	2	116.0395	0.172	2	116.0395	0.172	2	114.6562	1.658	5	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-3:	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,7|H<1>}	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	118.9830	0.000	1	118.9830	0.000	1	118.9830	0.000	1	118.9830	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	112.1170	0.000	1	112.7900	0.906	2	112.6217	0.538	3	112.6217	0.538	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.4630	0.000	1	112.7900	0.906	2	112.6217	0.538	3	112.6217	0.538	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.2850	0.000	1	112.2850	0.000	1	112.6217	0.538	3	112.6217	0.538	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,2|C<4>,8|H<1>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	110.8605	0.177	2	110.8605	0.032	2	110.0533	1.970	3	110.0533	1.970	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	108.4390	0.000	1	108.4390	0.000	1	110.0533	1.970	3	110.0533	1.970	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:2:1:	4:4:3:4:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|N<3>,2|O<2>,6|H<1>}	117.9185	0.416	2	117.9185	0.173	2	117.9185	0.173	2	117.9185	0.173	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){3|C<3>,5|H<1>,6|C<4>}	110.5395	0.088	2	110.5395	0.008	2	110.5395	0.008	2	110.5395	0.008	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(O[5]N[5,5])(H){3|C<4>,7|H<1>}	115.9820	0.122	2	115.9820	0.015	2	115.9820	0.015	2	114.7580	4.502	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]N[5])(H){2|C<4>,7|H<1>}	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	114.7580	4.502	3	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H){1|O<2>,4|C<4>,7|H<1>}	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,6|H<1>}	110.1010	0.000	1	110.1010	0.000	1	112.2400	9.118	6	112.2400	9.118	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	110.5810	0.000	1	111.4993	0.735	3	112.2400	9.118	6	112.2400	9.118	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	111.9585	0.453	2	111.4993	0.735	3	112.2400	9.118	6	112.2400	9.118	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){3|C<4>,8|H<1>}	110.6530	0.000	1	110.6530	0.000	1	112.2400	9.118	6	112.2400	9.118	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<4>,7|H<1>}	118.1880	0.000	1	118.1880	0.000	1	112.2400	9.118	6	112.2400	9.118	6	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	111.9430	0.000	1	111.9430	0.000	1	110.9455	0.624	4	110.9455	0.624	4	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.9455	0.624	4	110.9455	0.624	4	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	110.7095	0.699	2	110.7095	0.489	2	110.9455	0.624	4	110.9455	0.624	4	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>,7|C<4>}	111.4545	0.083	2	111.4545	0.007	2	111.4545	0.007	2	111.4545	0.007	2	114.0563	6.937	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	117.9390	0.000	1	119.2210	0.783	4	119.2210	0.783	4	119.2210	0.783	4	119.2210	0.783	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	119.6483	0.281	3	119.2210	0.783	4	119.2210	0.783	4	119.2210	0.783	4	119.2210	0.783	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	2:4:4:4:	4:4:2:1:	4:4:4:4:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	118.0350	0.215	2	118.0350	0.046	2	118.0350	0.046	2	118.0350	0.046	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:4:3:	C[5,6a]-3:C[5,5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:C-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<2>,2|C<4>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.8510	0.000	1	113.8510	0.000	1	113.8510	0.000	1	113.8510	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.3325	0.449	2	117.3325	0.202	2	117.3325	0.202	2	117.3325	0.202	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.4630	0.000	1	113.4630	0.000	1	112.0880	3.781	2	113.2941	8.777	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.7130	0.000	1	110.7130	0.000	1	112.0880	3.781	2	113.2941	8.777	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,9|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	116.1780	0.000	1	113.7766	11.201	5	113.7766	11.201	5	113.2941	8.777	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](N[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,2|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	113.1762	3.540	4	113.7766	11.201	5	113.7766	11.201	5	113.2941	8.777	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:2:	4:3:1:1:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:3:2:1:	4:4:1:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{3|C<4>,5|H<1>}	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:4:2:	C[3x5]-4:O[5,6]-2:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO)	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	123.6640	0.000	2	123.6640	0.000	2	123.6640	0.000	2	123.6640	0.000	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:2:1:1:	4:4:1:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	116.1015	1.189	2	116.1015	1.413	2	116.1015	1.413	2	114.9277	4.840	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.5800	0.000	1	112.5800	0.000	1	112.5800	0.000	1	114.9277	4.840	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:3:2:1:	4:4:1:1:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	110.1580	0.533	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,5|H<1>}	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	110.1580	0.533	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	111.2730	0.000	1	110.3237	0.676	3	111.6155	7.126	4	111.3912	5.596	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	109.8490	0.021	2	110.3237	0.676	3	111.6155	7.126	4	111.3912	5.596	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.4910	0.000	1	115.4910	0.000	1	111.6155	7.126	4	111.3912	5.596	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	111.3912	5.596	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	113.2930	0.000	1	113.2930	0.000	1	113.2930	0.000	1	112.0760	1.735	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HN)(H)2{1|C<3>,2|C<4>,6|H<1>}	113.0700	0.000	1	113.0700	0.000	1	111.6703	1.616	3	112.0760	1.735	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,5|C<3>,5|H<1>}	110.9705	0.541	2	110.9705	0.293	2	111.6703	1.616	3	112.0760	1.735	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:3:4:4:	4:4:2:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:2:4:	4:3:1:1:	4:3:1:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:2:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:2:4:	4:4:1:1:	4:3:1:1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]O[5]O)(H)2{3|C<4>,3|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	118.1833	0.755	3	118.1833	0.569	3	118.1833	0.569	3	118.1833	0.569	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	114.8475	1.266	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	114.8475	1.266	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:Br-1:Br-1:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5]){2|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[6a]N[5])(Br)2{2|H<1>,3|C<3>,3|C<4>}	117.8740	0.232	2	117.8740	0.054	2	117.8740	0.054	2	117.8740	0.054	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:3:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{3|C<4>,4|C<3>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	116.9218	0.747	4	116.9218	0.558	4	116.8020	0.354	7	116.8020	0.354	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	116.6423	0.400	3	116.6423	0.160	3	116.8020	0.354	7	116.8020	0.354	7	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:2:2:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	112.5990	0.000	2	112.5990	0.000	2	113.1305	0.377	4	113.1305	0.377	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:2:2:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|O<2>}	113.6620	0.000	2	113.6620	0.000	2	113.1305	0.377	4	113.1305	0.377	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<2>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	114.2900	0.000	1	114.2900	0.000	1	113.7945	0.491	2	112.3007	6.940	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	113.2990	0.000	1	113.2990	0.000	1	113.7945	0.491	2	112.3007	6.940	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:Br-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	112.3007	6.940	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.7170	0.000	1	120.7170	0.000	1	118.3500	11.205	2	118.3500	11.205	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]H)(H)2{1|O<1>,3|H<1>,4|C<4>}	115.9830	0.000	1	115.9830	0.000	1	118.3500	11.205	2	118.3500	11.205	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	113.8205	0.538	2	113.8205	0.290	2	113.8205	0.290	2	113.8923	0.419	6	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	114.7200	0.000	1	114.7200	0.000	1	113.9282	0.596	4	113.8923	0.419	6	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	113.6643	0.690	3	113.6643	0.476	3	113.9282	0.596	4	113.8923	0.419	6	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,3|C<4>,4|H<1>}	115.0440	0.000	1	115.0440	0.000	1	113.6117	4.499	3	113.6117	4.499	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:H-1:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)(H){2|C<3>,2|C<4>,5|H<1>}	112.8955	2.433	2	112.8955	5.920	2	113.6117	4.499	3	113.6117	4.499	3	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:2:2:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:2:2:1:	4:4:2:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	112.8540	0.000	1	112.8540	0.000	1	111.1986	0.558	8	111.1986	0.558	8	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	110.9621	0.359	7	110.9621	0.129	7	111.1986	0.558	8	111.1986	0.558	8	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.5450	0.000	1	109.5450	0.000	1	110.6607	1.327	3	111.0430	1.470	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.8460	0.000	1	111.8460	0.000	1	110.6607	1.327	3	111.0430	1.470	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.5910	0.000	1	110.5910	0.000	1	110.6607	1.327	3	111.0430	1.470	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	111.0430	1.470	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	108.6690	0.000	1	108.6690	0.000	1	110.8307	2.421	9	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	113.2450	0.000	1	113.2450	0.000	1	110.8307	2.421	9	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	110.7946	1.215	7	110.7946	1.476	7	110.8307	2.421	9	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	114.7115	1.121	2	114.7115	1.256	2	114.5072	0.741	4	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	114.9360	0.000	1	114.3030	0.801	2	114.5072	0.741	4	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	113.6700	0.000	1	114.3030	0.801	2	114.5072	0.741	4	111.9619	4.919	13	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	108.1175	0.701	2	108.1175	0.491	2	108.1175	0.491	2	108.1175	0.491	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{2|C<3>,5|H<1>,6|C<4>}	112.1680	0.245	2	112.1680	0.060	2	112.1680	0.060	2	112.1680	0.060	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	110.4500	4.041	4	110.4500	16.330	4	110.4500	16.330	4	111.2402	15.369	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-2:H-1:H-1:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]N[5])(H)2{4|C<4>,4|H<1>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	111.2402	15.369	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	112.6660	0.000	1	112.6660	0.000	1	113.0330	0.269	2	111.9190	1.237	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	113.4000	0.000	1	113.4000	0.000	1	113.0330	0.269	2	111.9190	1.237	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(H)2{3|H<1>,5|C<4>}	111.3835	0.532	2	111.3835	0.284	2	111.3835	0.284	2	111.9190	1.237	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2{5|C<4>,5|H<1>}	110.7620	0.000	1	110.7620	0.000	1	110.7620	0.000	1	111.9190	1.237	5	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	112.3870	6.689	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	112.3870	6.689	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.3870	6.689	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	112.3870	6.689	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	110.4015	0.812	2	110.4015	0.660	2	110.4015	0.660	2	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,4|C<4>,5|H<1>}	112.6210	0.204	2	112.6210	0.041	2	112.8107	0.129	3	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.1900	0.000	1	113.1900	0.000	1	112.8107	0.129	3	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	112.0777	4.699	4	112.0777	22.078	4	112.0777	22.078	4	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	111.7860	1.584	2	111.7860	2.509	2	110.0267	5.674	4	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HO)(H)2{4|C<4>,6|H<1>}	108.2675	1.460	2	108.2675	2.132	2	110.0267	5.674	4	111.4476	7.920	14	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	106.4365	1.022	2	106.4365	1.044	2	106.4365	1.044	2	106.4365	1.044	2	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.7180	0.000	1	110.7180	0.000	1	111.7937	5.644	3	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	114.5170	0.000	1	114.5170	0.000	1	111.7937	5.644	3	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.1460	0.000	1	110.1460	0.000	1	111.7937	5.644	3	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.5455	0.271	2	110.5455	0.073	2	110.5455	0.073	2	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	115.4130	0.000	1	114.6560	0.446	3	114.4755	0.428	4	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	114.2775	0.179	2	114.6560	0.446	3	114.4755	0.428	4	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	113.9340	0.000	1	113.9340	0.000	1	114.4755	0.428	4	112.7082	4.625	9	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	114.1740	0.000	1	113.3020	1.521	2	113.6415	0.661	4	113.6415	0.661	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	112.4300	0.000	1	113.3020	1.521	2	113.6415	0.661	4	113.6415	0.661	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	113.9810	0.008	2	113.9810	0.000	2	113.6415	0.661	4	113.6415	0.661	4	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,5|H<1>,7|C<4>}	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	113.4414	11.070	159	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5,5]	4:4:4:2:	4:4:4:4:	4:3:2:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H){2|H<1>,5|C<4>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.0480	0.160	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5,5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{2|O<2>,5|C<4>,6|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	117.1260	0.365	2	117.1260	0.133	2	116.9400	0.170	3	116.9400	0.170	3	117.0480	0.160	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5,5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{3|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	116.5680	0.000	1	116.5680	0.000	1	116.9400	0.170	3	116.9400	0.170	3	117.0480	0.160	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.4540	0.000	1	114.4530	0.909	3	114.4530	0.909	3	114.4530	0.909	3	114.4887	0.611	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5]	4:4:4:2:	4:4:4:4:	4:2:1:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{2|O<2>,5|C<4>,6|H<1>}	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	114.9525	0.566	2	114.4530	0.909	3	114.4530	0.909	3	114.4530	0.909	3	114.4887	0.611	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[3x6]	C[5]	4:4:4:2:	4:4:4:4:	4:2:2:1:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{3|O<2>,5|C<4>,5|H<1>}	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	114.4887	0.611	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[6]	C[5,5,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O){3|C<4>,4|O<2>,5|H<1>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[6]	C[5,5]	4:4:2:2:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	116.7890	0.126	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[6]	C[5,5]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H)	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H){3|C<4>,3|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.7890	0.126	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H){3|C<4>,3|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.0185	0.094	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,5]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]O)(C[5]C[5,6,6]HH)(C[6]C[6]2H)(C[5]O[5]O){3|C<4>,4|O<2>,5|H<1>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	114.0185	0.094	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:2:	4:4:3:3:	4:3:4:2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5]	4:3:4:4:	4:3:2:1:	4:3:3:1:	C[3x6]-4:C[5,6a]-3:C[5,5]-4:C[6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH)	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	116.7665	95.482	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	123.6760	0.000	1	123.6760	0.000	1	123.6760	0.000	1	123.6760	0.000	1	116.7665	95.482	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:2:3:1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	114.5610	0.000	1	114.5610	0.000	1	114.3680	0.074	2	114.3680	0.074	2	114.3680	0.074	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:2:3:1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	114.1750	0.000	1	114.1750	0.000	1	114.3680	0.074	2	114.3680	0.074	2	114.3680	0.074	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:4:2:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	114.0910	0.000	1	114.0910	0.000	1	114.7310	0.819	2	114.7310	0.819	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:3:4:2:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[5]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	115.3710	0.000	1	115.3710	0.000	1	114.7310	0.819	2	114.7310	0.819	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	115.5020	0.511	2	115.5020	0.261	2	114.3532	1.186	6	114.3532	1.186	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	113.1625	0.153	2	113.1625	0.024	2	114.3532	1.186	6	114.3532	1.186	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	114.3950	0.412	2	114.3950	0.169	2	114.3532	1.186	6	114.3532	1.186	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:1:	4:3:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	113.4850	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:1:	4:3:4:2:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5]-3:C-4:O-2:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.8560	0.267	2	114.8560	0.071	2	114.8560	0.071	2	114.8560	0.071	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	3:3:4:2:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.3840	0.126	2	116.3840	0.016	2	116.3840	0.016	2	116.3840	0.016	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:2:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.3150	0.000	1	112.3150	0.000	1	112.3150	0.000	1	112.3150	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.9570	0.000	1	113.7237	0.462	3	113.2238	1.189	5	113.2238	1.189	5	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.6070	0.918	2	113.7237	0.462	3	113.2238	1.189	5	113.2238	1.189	5	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.4850	0.000	1	111.4850	0.000	1	113.2238	1.189	5	113.2238	1.189	5	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.4630	0.000	1	113.4630	0.000	1	113.2238	1.189	5	113.2238	1.189	5	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.5445	0.576	4	114.5445	0.331	4	114.5445	0.331	4	114.5445	0.331	4	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	113.3110	0.000	1	113.3110	0.000	1	113.3110	0.000	1	112.6930	0.764	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.0750	0.000	1	112.0750	0.000	1	112.0750	0.000	1	112.6930	0.764	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	115.4495	1.073	2	115.4495	1.151	2	115.4495	1.151	2	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.1960	0.000	1	117.1960	0.000	1	116.9325	0.139	2	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	116.6690	0.000	1	116.6690	0.000	1	116.9325	0.139	2	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	115.6565	1.653	2	115.6565	2.731	2	116.5498	1.453	5	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.3090	0.000	1	116.9680	0.233	2	116.5498	1.453	5	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	116.6270	0.000	1	116.9680	0.233	2	116.5498	1.453	5	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.5000	0.000	1	117.5000	0.000	1	116.5498	1.453	5	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.7480	0.023	2	113.7480	0.001	2	113.7480	0.001	2	115.9099	2.101	11	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	118.0140	2.513	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	118.0140	2.513	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	112.8712	1.409	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	113.8385	0.332	2	113.8385	0.110	2	113.8385	0.110	2	112.8712	1.409	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.7070	0.078	2	111.7070	0.006	2	112.5157	1.965	3	112.8712	1.409	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	114.1330	0.000	1	114.1330	0.000	1	112.5157	1.965	3	112.8712	1.409	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.4840	0.133	2	115.4840	0.018	2	115.4840	0.018	2	115.4840	0.018	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.3655	0.520	2	115.3655	0.270	2	115.1953	0.222	3	115.1953	0.222	3	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.8550	0.000	1	114.8550	0.000	1	115.1953	0.222	3	115.1953	0.222	3	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	112.8160	1.348	4	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	113.0740	0.000	1	113.0740	0.000	1	113.2850	0.702	3	112.8160	1.348	4	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]H)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	113.3905	1.156	2	113.3905	1.337	2	113.2850	0.702	3	112.8160	1.348	4	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	114.6110	0.000	1	114.6110	0.000	1	115.8365	3.004	2	117.0710	1.603	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	117.0620	0.000	1	117.0620	0.000	1	115.8365	3.004	2	117.0710	1.603	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	117.6882	0.384	4	117.6882	0.147	4	117.6882	0.147	4	117.0710	1.603	6	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:2:2:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	116.4260	0.000	1	116.4260	0.000	1	116.4260	0.000	1	116.4260	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	115.7850	0.000	1	115.7850	0.000	1	116.6685	1.561	2	116.6685	1.561	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(H)2{3|H<1>,4|C<4>}	117.5520	0.000	1	117.5520	0.000	1	116.6685	1.561	2	116.6685	1.561	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.4750	0.000	1	115.2170	0.133	2	115.2170	0.133	2	115.2170	0.133	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.9590	0.000	1	115.2170	0.133	2	115.2170	0.133	2	115.2170	0.133	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	112.1825	0.152	2	112.1825	0.023	2	112.1825	0.023	2	112.1825	0.023	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.9970	0.209	2	112.9970	0.044	2	112.9970	0.044	2	112.9970	0.044	2	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	112.4263	1.280	3	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.3245	1.580	2	112.3245	2.498	2	112.3245	2.498	2	112.4263	1.280	3	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:4:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	114.5563	5.112	79	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[5x6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(C[5]C[5]CH)(H)2{3|H<1>,4|C<4>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:4:1:	4:3:4:2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	113.1830	0.000	1	113.1830	0.000	1	113.1830	0.000	1	113.1830	0.000	1	113.1830	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5]	3:4:4:1:	4:4:1:1:	4:3:4:3:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	112.8213	15.398	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:2:4:4:	4:4:3:1:	4:4:3:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>,5|C<4>}	109.0360	0.000	2	110.1560	1.673	4	110.1560	1.673	4	110.1560	1.673	4	112.8213	15.398	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:2:4:4:	4:4:3:1:	4:4:3:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,4|H<1>}	111.2760	0.000	2	110.1560	1.673	4	110.1560	1.673	4	110.1560	1.673	4	112.8213	15.398	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[3x6]-4:C[5,6a]-3:C[5,5]-4:C[6,6]-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2{1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	112.8213	15.398	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5]	4:4:4:4:	4:4:4:4:	4:4:4:2:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	112.8213	15.398	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:3:4:4:	4:4:3:2:	C[6,6]-4:C[5,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	121.7713	0.423	3	121.7713	0.179	3	121.7713	0.179	3	121.7713	0.179	3	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	112.9900	0.000	1	113.5931	0.181	11	113.5931	0.181	11	113.5931	0.181	11	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	113.6534	0.396	10	113.5931	0.181	11	113.5931	0.181	11	113.5931	0.181	11	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	120.1210	0.000	1	120.1210	0.000	1	119.8385	0.160	2	119.8385	0.160	2	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	119.5560	0.000	1	119.5560	0.000	1	119.8385	0.160	2	119.8385	0.160	2	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	118.1060	0.499	2	118.1060	0.249	2	118.1060	0.249	2	118.1060	0.249	2	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	113.3950	0.000	1	113.3950	0.000	1	113.3950	0.000	1	113.3950	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	114.8360	0.129	2	114.8360	0.017	2	114.8360	0.017	2	114.8360	0.017	2	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.8175	0.487	2	110.8175	0.237	2	110.8175	0.237	2	110.8175	0.237	2	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	112.4357	6.140	3	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	111.0055	0.086	2	111.0055	0.007	2	111.0055	0.007	2	112.4357	6.140	3	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	113.1615	0.032	2	113.0705	0.062	6	113.0705	0.062	6	113.0705	0.062	6	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	113.0250	0.307	4	113.0705	0.062	6	113.0705	0.062	6	113.0705	0.062	6	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){2|O<2>,3|C<4>,4|H<1>}	113.3980	0.066	2	113.3980	0.004	2	113.3980	0.004	2	113.9031	1.164	7	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	113.9031	1.164	7	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	113.4380	0.000	1	113.2390	0.079	2	113.5765	0.226	4	113.9031	1.164	7	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	113.0400	0.000	1	113.2390	0.079	2	113.5765	0.226	4	113.9031	1.164	7	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	113.9140	0.378	2	113.9140	0.143	2	113.5765	0.226	4	113.9031	1.164	7	114.7895	9.446	45	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	2:4:4:4:	4:3:4:1:	4:4:1:1:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.5025	0.042	2	116.5025	0.002	2	116.5025	0.002	2	116.5025	0.002	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:1:	4:3:4:1:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:3:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	112.0930	0.170	2	112.0930	0.029	2	112.0930	0.029	2	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:S[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.4690	0.000	1	121.5785	0.024	2	121.5785	0.024	2	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.6880	0.000	1	121.5785	0.024	2	121.5785	0.024	2	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	115.4741	20.667	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:2:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	112.5590	0.000	1	111.8530	0.997	2	113.0853	5.054	3	113.0853	5.054	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	111.1470	0.000	1	111.8530	0.997	2	113.0853	5.054	3	113.0853	5.054	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	115.5500	0.000	1	115.5500	0.000	1	113.0853	5.054	3	113.0853	5.054	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:2:	4:4:2:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H)	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:3:	4:4:4:4:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,5|C<4>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:4:	4:3:4:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<3>,4|C<4>,5|H<1>}	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:2:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,6|C<4>}	110.6920	0.267	2	110.6920	0.071	2	110.6920	0.071	2	110.6920	0.071	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	117.4500	33.179	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	117.4500	33.179	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	114.4230	0.000	1	114.4230	0.000	1	114.2965	0.032	2	114.2965	0.032	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	114.1700	0.000	1	114.1700	0.000	1	114.2965	0.032	2	114.2965	0.032	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.5281	0.551	8	121.5281	0.304	8	121.5281	0.304	8	121.5281	0.304	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.1510	0.000	1	121.1510	0.000	1	121.2690	0.028	2	121.2690	0.028	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]O[5]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.3870	0.000	1	121.3870	0.000	1	121.2690	0.028	2	121.2690	0.028	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	113.4610	0.505	3	113.4610	0.255	3	113.4610	0.255	3	113.4610	0.255	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.0245	0.699	2	114.0245	0.489	2	113.5127	1.030	3	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2{1|O<2>,2|H<1>,4|C<4>}	112.4890	0.000	1	112.4890	0.000	1	113.5127	1.030	3	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.2240	0.000	1	115.2282	0.355	6	115.1439	0.346	7	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.2180	0.414	2	115.2282	0.355	6	115.1439	0.346	7	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.2190	0.000	1	115.2282	0.355	6	115.1439	0.346	7	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.7450	0.249	2	115.2282	0.355	6	115.1439	0.346	7	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.6380	0.000	1	114.6380	0.000	1	115.1439	0.346	7	114.7610	1.097	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	109.3700	0.000	1	109.3700	0.000	1	115.3859	17.209	9	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.7740	0.203	4	112.7740	0.041	4	115.3859	17.209	9	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.5450	0.000	1	118.2995	0.121	2	115.3859	17.209	9	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	118.0540	0.000	1	118.2995	0.121	2	115.3859	17.209	9	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(H)2{2|H<1>,4|C<4>}	120.7040	0.639	2	120.7040	0.409	2	115.3859	17.209	9	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]O)(H)2{2|H<1>,5|C<4>}	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	114.9211	15.496	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[4,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[4,5,6,6]C[6,6]H)(C[5]C[4,5,6]HH)(H)2{3|C<4>,4|H<1>}	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:F-1:F-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2{4|C<4>,4|H<1>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	111.9675	0.165	2	111.9675	0.027	2	116.3506	16.126	5	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	119.5510	0.000	1	119.5510	0.000	1	116.3506	16.126	5	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	118.7310	0.000	1	118.7310	0.000	1	116.3506	16.126	5	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	119.5360	0.000	1	119.5360	0.000	1	116.3506	16.126	5	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]OO)(H)2{2|H<1>,5|C<4>}	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	114.5487	13.120	9	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	114.8015	44.246	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	114.8015	44.246	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	119.9780	0.242	2	119.9780	0.058	2	119.9780	0.058	2	119.9780	0.058	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	124.2890	0.000	2	124.2890	0.000	2	124.2890	0.000	2	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	121.3730	0.000	1	122.6950	3.495	2	122.5447	1.377	4	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	124.0170	0.000	1	122.6950	3.495	2	122.5447	1.377	4	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,7|H<1>}	122.9170	0.000	1	122.3945	0.546	2	122.5447	1.377	4	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	121.8720	0.000	1	122.3945	0.546	2	122.5447	1.377	4	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2{2|H<1>,3|C<4>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.7684	2.080	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	109.1510	0.178	2	109.1510	0.032	2	109.1510	0.032	2	109.8583	1.517	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:S-2:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(SC[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	109.8583	1.517	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:N[5,5]-3:C-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[4,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	116.2920	41.241	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	116.2920	41.241	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:2:	4:2:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	118.5680	16.439	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)2{3|H<1>,4|C<4>}	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	118.5680	16.439	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	109.5015	0.955	2	109.5015	0.913	2	109.5015	0.913	2	109.5015	0.913	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.8860	0.314	2	115.8860	0.099	2	115.8860	0.099	2	115.8860	0.099	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	110.1227	0.851	4	110.1227	0.725	4	110.1227	0.725	4	111.8410	15.305	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	111.8410	15.305	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	113.2512	1.120	4	113.1897	1.161	6	112.4010	5.322	7	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	112.0670	0.000	1	113.1897	1.161	6	112.4010	5.322	7	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	114.0660	0.000	1	113.1897	1.161	6	112.4010	5.322	7	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	107.6690	0.000	1	107.6690	0.000	1	112.4010	5.322	7	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	121.2260	0.000	1	120.3030	1.704	2	120.3030	1.704	2	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	119.3800	0.000	1	120.3030	1.704	2	120.3030	1.704	2	113.5933	17.707	10	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5])	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5]){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5,5]HO)(H)2{3|H<1>,5|C<4>}	114.1220	0.236	3	114.1220	0.056	3	114.1220	0.056	3	114.1220	0.056	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	112.2080	3.236	2	112.2080	10.470	2	112.2080	10.470	2	112.2080	10.470	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	109.3515	1.083	4	109.3515	1.172	4	109.1306	1.123	5	109.1306	1.123	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	108.2470	0.000	1	108.2470	0.000	1	109.1306	1.123	5	109.1306	1.123	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:3:4:2:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[4,6,6]-4:C[6,6]-4:C[5]-4:N[5]-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H)	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[4,6,6]C[6,6]N[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,4|H<1>}	113.2375	0.192	2	113.2375	0.037	2	113.2375	0.037	2	113.2375	0.037	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O){1|N<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,4|H<1>,6|C<4>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	112.7210	0.822	2	112.7210	0.675	2	112.7210	0.675	2	112.7210	0.675	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	110.6628	0.968	4	110.6628	0.938	4	110.6628	0.938	4	110.6628	0.938	4	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	113.3330	0.000	1	113.9355	0.726	2	113.9355	0.726	2	112.9150	3.487	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	114.5380	0.000	1	113.9355	0.726	2	113.9355	0.726	2	112.9150	3.487	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	112.9150	3.487	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	108.0470	0.000	1	108.0470	0.000	1	110.5867	4.855	3	111.3454	3.885	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	111.7240	0.000	1	111.8565	0.035	2	110.5867	4.855	3	111.3454	3.885	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	111.9890	0.000	1	111.8565	0.035	2	110.5867	4.855	3	111.3454	3.885	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	112.4835	1.230	2	112.4835	1.512	2	112.4835	1.512	2	111.3454	3.885	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	110.2576	0.891	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.0230	0.635	2	111.0230	0.403	2	111.0230	0.403	2	110.2576	0.891	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.6435	0.419	2	109.6435	0.176	2	109.6213	0.374	4	110.2576	0.891	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.2860	0.000	1	110.2860	0.000	1	109.6213	0.374	4	110.2576	0.891	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.9120	0.000	1	108.9120	0.000	1	109.6213	0.374	4	110.2576	0.891	7	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:2:2:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{2|N<3>,4|H<1>,4|O<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,6|H<1>}	112.1560	0.238	2	112.1560	0.056	2	112.1560	0.056	2	112.3890	1.622	22	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|N<3>,6|H<1>}	112.4123	1.336	20	112.4123	1.784	20	112.4123	1.784	20	112.3890	1.622	22	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:2:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	108.4750	0.000	1	108.4750	0.000	1	107.6012	0.774	5	107.6012	0.774	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:2:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	106.6790	0.148	2	107.3828	0.714	4	107.6012	0.774	5	107.6012	0.774	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:2:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	108.0865	0.373	2	107.3828	0.714	4	107.6012	0.774	5	107.6012	0.774	5	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.2480	0.243	2	117.2480	0.059	2	117.1030	0.093	3	117.1030	0.093	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.8130	0.000	1	116.8130	0.000	1	117.1030	0.093	3	117.1030	0.093	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>,3|O<1>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.9435	3.268	2	111.9435	10.677	2	111.9435	10.677	2	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	116.0980	0.000	1	116.0980	0.000	1	114.6355	1.026	4	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.9595	0.108	2	113.9595	0.012	2	114.6355	1.026	4	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.5250	0.000	1	114.5250	0.000	1	114.6355	1.026	4	113.5602	9.461	8	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	112.5915	1.402	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	114.7250	0.522	2	114.7250	0.272	2	114.7250	0.272	2	112.5915	1.402	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	112.2607	0.545	6	112.2271	0.251	8	112.2271	0.251	8	112.5915	1.402	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	112.1265	0.491	2	112.2271	0.251	8	112.2271	0.251	8	112.5915	1.402	11	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	113.0885	0.329	2	113.0885	0.108	2	113.0885	0.108	2	113.0885	0.108	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2	C[5,6,6](C[6,6]C[6]O[6]C)2(C[5]C[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]H)(H)2{2|O<2>,3|H<1>,4|C<4>}	111.3710	0.728	4	111.3710	0.531	4	111.3710	0.531	4	111.3710	0.531	4	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	110.8595	0.535	2	110.8595	0.287	2	110.8595	0.287	2	110.8595	0.287	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:2:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	120.6110	0.000	1	120.6110	0.000	1	120.6110	0.000	1	119.9490	0.876	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:2:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.9490	0.876	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:2:	4:3:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	118.1243	0.228	3	118.1243	0.052	3	118.1243	0.052	3	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	107.1865	0.220	2	107.7157	0.459	8	107.7157	0.459	8	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	107.5255	0.196	4	107.7157	0.459	8	107.7157	0.459	8	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	108.0390	0.000	1	107.7157	0.459	8	107.7157	0.459	8	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	109.2120	0.000	1	107.7157	0.459	8	107.7157	0.459	8	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	117.2990	0.247	2	117.2990	0.061	2	117.2990	0.061	2	111.7695	21.844	18	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	109.9165	0.697	2	109.9165	0.485	2	109.9165	0.485	2	109.9165	0.485	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:Br-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H){5|C<4>,5|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	110.3620	0.000	1	110.3620	0.000	1	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	109.0320	0.318	3	108.7713	0.104	7	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{4|C<4>,6|H<1>}	108.7550	0.000	1	108.7713	0.104	7	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	108.5160	0.102	3	108.7713	0.104	7	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2{5|C<4>,5|H<1>}	112.0501	0.454	8	112.0501	0.206	8	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{5|C<4>,5|H<1>}	112.9195	0.609	4	112.9195	0.371	4	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	108.5370	0.000	1	108.5370	0.000	1	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	113.2150	0.000	1	113.2150	0.000	1	110.9815	3.471	22	110.9529	3.332	23	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	114.3570	20.457	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	111.7460	0.096	2	111.7460	0.009	2	111.7460	0.009	2	114.3570	20.457	3	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	108.7640	0.000	1	108.7640	0.000	1	111.6935	17.164	2	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.6230	0.000	1	114.6230	0.000	1	111.6935	17.164	2	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{4|C<4>,6|H<1>}	109.7010	0.000	1	109.7010	0.000	1	109.2690	2.707	6	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	107.9850	0.000	1	108.2450	0.051	3	109.2690	2.707	6	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	108.3750	0.024	2	108.2450	0.051	3	109.2690	2.707	6	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	112.4080	0.000	1	112.4080	0.000	1	109.2690	2.707	6	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	108.7700	0.000	1	108.7700	0.000	1	109.2690	2.707	6	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2	C[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)2{12|H<1>,1|N<3>,1|N<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	C[5](C[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	112.5563	0.540	4	112.5563	0.291	4	112.5563	0.291	4	110.6658	5.101	13	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,5]C[6,6])(C[5]C[5,5]CH)(H)2{1|N<3>,1|O<2>,2|H<1>,6|C<4>}	112.3400	0.000	1	112.3400	0.000	1	112.3400	0.000	1	112.3635	0.001	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3635	0.001	2	113.2728	16.047	288	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6]	4:4:4:4:	4:2:1:1:	4:4:2:4:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[5]-4:	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH){13|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	112.5930	5.862	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6]	4:4:4:4:	4:3:1:1:	4:4:2:4:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[5]-4:	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH){13|H<1>,1|N<3>,1|O<2>,2|C<4>}	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	112.5930	5.862	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5]	4:4:4:2:	4:4:2:1:	4:4:3:2:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:3:1:1:	4:4:3:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	121.7183	2.332	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	121.7183	2.332	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:2:1:	4:4:4:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	121.7183	2.332	3	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,3x6]	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[4,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[5,5,6]C[6])(C[6]C[4,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	115.1815	7.446	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	115.1815	7.446	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:2:4:2:	4:2:4:1:	4:4:3:1:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:3:4:2:	4:4:1:1:	3:4:2:3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	119.4757	1.433	3	119.4757	2.055	3	119.4757	2.055	3	119.4757	2.055	3	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:3:4:4:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	3:4:2:3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	113.4420	2.490	2	113.4420	6.202	2	113.4420	6.202	2	113.4420	6.202	2	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2{1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<1>,3|C<4>,5|H<1>}	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	116.4515	2.009	2	116.4515	4.036	2	114.7537	7.974	4	114.7537	7.974	4	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<2>,5|H<1>}	113.0560	2.891	2	113.0560	8.356	2	114.7537	7.974	4	114.7537	7.974	4	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:3:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	3:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.3010	0.708	4	112.3010	0.501	4	112.3010	0.501	4	112.3010	0.501	4	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.2475	0.972	2	113.2475	0.945	2	113.2475	0.945	2	113.2475	0.945	2	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:2:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	114.8455	0.131	2	114.8455	0.017	2	114.8455	0.017	2	114.8455	0.017	2	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.0410	0.000	1	119.0410	0.000	1	118.8550	0.069	2	116.9708	2.530	6	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.6690	0.000	1	118.6690	0.000	1	118.8550	0.069	2	116.9708	2.530	6	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.0288	0.802	4	116.0288	0.643	4	116.0288	0.643	4	116.9708	2.530	6	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,5|H<1>}	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,5|H<1>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:1:	3:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2{2|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	114.0141	0.887	8	114.0141	0.787	8	114.0141	0.787	8	114.0141	0.787	8	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	115.1958	2.277	8	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	117.8670	0.000	1	117.8670	0.000	1	117.8670	0.000	1	115.1958	2.277	8	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,5,6]O)(Cl){1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	115.1160	0.312	4	115.1160	0.097	4	115.1160	0.097	4	115.1958	2.277	8	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	113.3960	0.675	2	113.3960	0.455	2	113.3960	0.455	2	115.1958	2.277	8	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[3x5,6]C[5,5,6]2H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	118.8454	17.478	5	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|O<1>,4|C<4>,5|H<1>}	120.7140	0.163	4	120.7140	0.027	4	120.7140	0.027	4	118.8454	17.478	5	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:C-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.7760	0.081	2	113.7760	0.006	2	113.7760	0.006	2	113.7760	0.006	2	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:2:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.2080	0.000	1	119.2080	0.000	1	119.5425	0.224	2	116.1571	6.788	10	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.8770	0.000	1	119.8770	0.000	1	119.5425	0.224	2	116.1571	6.788	10	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.6725	0.754	2	117.6725	0.569	2	117.6725	0.569	2	116.1571	6.788	10	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	114.5235	1.831	6	114.5235	3.354	6	114.5235	3.354	6	116.1571	6.788	10	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	112.5370	0.152	4	112.5370	0.023	4	112.5370	0.023	4	112.5370	0.023	4	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	114.2060	0.000	1	114.4230	0.126	3	114.4230	0.126	3	114.4230	0.126	3	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	114.2300	0.000	1	114.4230	0.126	3	114.4230	0.126	3	114.4230	0.126	3	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<4>,4|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	114.8330	0.000	1	114.4230	0.126	3	114.4230	0.126	3	114.4230	0.126	3	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	115.4455	0.571	4	115.4455	0.326	4	115.4455	0.326	4	115.4455	0.326	4	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.2605	0.506	2	112.2605	0.256	2	112.2605	0.256	2	112.2605	0.256	2	115.0837	6.848	84	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5]	4:2:4:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){1|C<3>,4|H<1>,5|C<4>}	115.5280	0.000	2	115.4555	0.007	4	115.4555	0.007	4	115.4555	0.007	4	116.3058	3.620	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5]	4:2:4:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5]-4:C[5]-3:H-1:	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6,6]C[6,6]O[5,6]C[6])(C[3x5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,4|H<1>}	115.3830	0.000	2	115.4555	0.007	4	115.4555	0.007	4	115.4555	0.007	4	116.3058	3.620	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5]	4:4:4:2:	4:4:2:1:	4:4:3:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	116.3058	3.620	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	126.7460	0.000	1	126.7460	0.000	1	126.7135	0.002	2	126.7135	0.002	2	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	126.6810	0.000	1	126.6810	0.000	1	126.7135	0.002	2	126.7135	0.002	2	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	114.0770	0.000	1	114.0770	0.000	1	121.9350	46.412	3	121.9350	46.412	3	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	125.8640	0.450	2	125.8640	0.202	2	121.9350	46.412	3	121.9350	46.412	3	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:3:	4:4:3:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:2:1:1:	4:3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	114.2960	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	114.9740	0.000	1	114.9740	0.000	1	114.6335	0.232	2	114.6335	0.232	2	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	114.2930	0.000	1	114.2930	0.000	1	114.6335	0.232	2	114.6335	0.232	2	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	113.0970	0.000	1	113.0970	0.000	1	113.0970	0.000	1	113.0970	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	120.3710	0.000	1	121.0447	0.842	3	121.0447	0.842	3	121.0447	0.842	3	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	121.3815	1.002	2	121.0447	0.842	3	121.0447	0.842	3	121.0447	0.842	3	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	113.4105	0.042	2	113.4105	0.002	2	113.4105	0.002	2	113.4105	0.002	2	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:2:1:1:	4:4:4:1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	115.9730	0.000	1	115.9730	0.000	1	115.9730	0.000	1	115.9730	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	110.2210	0.919	3	110.2210	0.844	3	110.2210	0.844	3	110.2210	0.844	3	116.9726	39.949	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:2:1:1:	4:4:2:1:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.0410	0.116	2	109.0410	0.013	2	109.0410	0.013	2	109.0410	0.013	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:3:4:1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5])(C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	113.9485	0.388	2	113.9485	0.151	2	113.9485	0.151	2	113.9485	0.151	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.9335	0.226	2	111.9335	0.051	2	111.9335	0.051	2	111.9335	0.051	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:2:1:1:	4:4:1:1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|C<4>,2|O<2>,6|H<1>}	112.5115	2.091	2	112.5115	4.372	2	112.5115	4.372	2	112.5115	4.372	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:3:2:1:	4:4:4:2:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	113.6140	0.959	3	113.6140	0.920	3	113.6140	0.920	3	113.6140	0.920	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<1>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:2:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	111.4970	6.901	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	113.3190	0.000	1	111.3115	8.060	2	111.3115	8.060	2	111.4970	6.901	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	109.3040	0.000	1	111.3115	8.060	2	111.3115	8.060	2	111.4970	6.901	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	111.4970	6.901	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:2:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.9970	0.000	1	112.9385	0.789	6	113.2539	1.354	7	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	112.4330	0.000	1	112.9385	0.789	6	113.2539	1.354	7	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	113.2250	0.405	3	112.9385	0.789	6	113.2539	1.354	7	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.5260	0.000	1	112.9385	0.789	6	113.2539	1.354	7	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	115.1460	0.000	1	115.1460	0.000	1	113.2539	1.354	7	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|S<4>,4|C<4>,4|H<1>}	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	112.8536	1.867	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]S)(C[5,6,6]N[5,5,6]C[6]2)(H)2{1|S<4>,4|C<4>,4|H<1>}	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:3:	4:4:1:1:	4:3:3:4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:2:4:2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	112.6910	0.089	2	112.8287	0.061	3	112.8287	0.061	3	112.8287	0.061	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:2:4:2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	113.1040	0.000	1	112.8287	0.061	3	112.8287	0.061	3	112.8287	0.061	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	116.0100	0.450	3	116.0100	0.202	3	116.0100	0.202	3	116.0100	0.202	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.5490	0.000	1	113.5490	0.000	1	113.5490	0.000	1	112.1683	4.728	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.4780	2.568	2	111.4780	6.596	2	111.4780	6.596	2	112.1683	4.728	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	110.5755	0.913	2	110.5755	0.833	2	110.5755	0.833	2	110.5755	0.833	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	116.7170	0.119	2	116.7170	0.014	2	116.7170	0.014	2	116.7170	0.014	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	114.7025	10.575	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	114.7025	10.575	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	114.9568	5.271	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	115.8713	1.205	4	115.8713	1.453	4	115.8713	1.453	4	114.9568	5.271	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	115.3610	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	112.0040	1.880	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	112.9200	0.000	1	112.9200	0.000	1	112.5935	0.213	2	112.0040	1.880	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	112.2670	0.000	1	112.2670	0.000	1	112.5935	0.213	2	112.0040	1.880	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.0040	1.880	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	112.9720	3.251	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	112.9720	3.251	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	113.8470	0.000	2	113.8470	0.000	2	113.8470	0.000	2	113.8470	0.000	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:3:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2{1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	113.3775	1.915	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	113.3775	1.915	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	111.3240	2.540	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]H)(N[5,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	111.3240	2.540	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6]C[5,6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(CF3)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	116.2215	0.211	2	116.2215	0.045	2	116.2215	0.045	2	116.2215	0.045	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:2:3:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	122.1590	0.747	2	122.1590	0.558	2	122.1590	0.558	2	122.1590	0.558	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]H)(H)2{2|C<4>,2|N<3>,3|H<1>}	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[3x5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	112.8770	0.062	2	112.8770	0.004	2	111.5000	2.665	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{4|H<1>,5|C<4>}	109.6720	0.000	1	109.6720	0.000	1	111.5000	2.665	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	110.5740	0.000	1	110.5740	0.000	1	111.5000	2.665	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]O[5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	114.1880	0.000	1	114.1880	0.000	1	114.4905	0.095	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|O<1>,2|C<4>,5|H<1>}	114.7470	0.127	2	114.7470	0.016	2	114.4905	0.095	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]H)(H)2{2|C<4>,5|H<1>}	114.2800	0.000	1	114.2800	0.000	1	114.4905	0.095	4	113.7402	5.374	10	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-2:C-2:	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]C[6]H)(CN)2{3|C<4>,6|H<1>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	115.6863	3.936	19	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.6863	3.936	19	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	115.6863	3.936	19	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	115.4243	0.700	16	115.4243	0.490	16	115.4243	0.490	16	115.6863	3.936	19	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	113.4845	0.458	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	113.4845	0.458	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	115.3950	0.000	1	115.3950	0.000	1	114.9275	0.437	2	114.9275	0.437	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	114.4600	0.000	1	114.4600	0.000	1	114.9275	0.437	2	114.9275	0.437	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]O)(H)2{1|F<1>,2|C<3>,3|C<4>,4|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:2:3:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-3:C-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO){1|O<2>,4|H<1>,5|C<4>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:3:3:2:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	114.1990	0.535	2	114.1990	0.286	2	114.1990	0.286	2	114.1990	0.286	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.1820	0.069	2	116.1820	0.005	2	116.1820	0.005	2	116.1820	0.005	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	112.9877	0.138	4	112.9877	0.019	4	112.9877	0.019	4	113.1214	0.155	7	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	113.5570	0.557	2	113.5570	0.310	2	113.5570	0.310	2	113.1214	0.155	7	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	113.1214	0.155	7	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	112.3105	0.745	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	112.3105	0.745	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|B<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,8|H<1>}	114.6600	0.000	1	113.6005	2.245	2	113.6005	2.245	2	115.1843	3.529	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	112.5410	0.000	1	113.6005	2.245	2	113.6005	2.245	2	115.1843	3.529	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	115.1843	3.529	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	116.7270	0.746	3	116.7270	0.556	3	116.7270	0.556	3	115.1843	3.529	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3){1|B<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	117.4150	0.000	1	117.4150	0.000	1	117.4150	0.000	1	117.3387	5.776	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	117.3387	5.776	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	117.3387	5.776	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|O<2>,3|C<4>,5|H<1>}	119.3590	0.038	2	119.3590	0.001	2	119.3590	0.001	2	119.3590	0.001	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	115.8705	0.831	2	115.6320	0.346	4	115.4775	0.266	6	115.4775	0.266	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	115.3935	0.349	2	115.6320	0.346	4	115.4775	0.266	6	115.4775	0.266	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	115.1685	0.053	2	115.1685	0.003	2	115.4775	0.266	6	115.4775	0.266	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	114.6193	1.605	3	114.6193	2.577	3	114.6193	2.577	3	114.6193	2.577	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	117.4900	0.816	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	118.2023	0.291	3	118.2023	0.085	3	118.2023	0.085	3	117.4900	0.816	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	117.4900	0.816	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	118.2060	0.000	1	118.2060	0.000	1	116.8660	1.056	4	117.4900	0.816	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	116.4193	0.622	3	116.4193	0.387	3	116.8660	1.056	4	117.4900	0.816	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:3:2:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	114.5077	0.869	3	114.5077	0.755	3	114.5077	0.755	3	114.5077	0.755	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	115.0370	1.225	2	115.0370	1.500	2	115.0370	1.500	2	115.0370	1.500	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	116.7550	0.684	2	116.7550	0.469	2	113.7590	29.200	4	113.7590	29.200	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.8240	0.000	1	115.8240	0.000	1	113.7590	29.200	4	113.7590	29.200	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	105.7020	0.000	1	105.7020	0.000	1	113.7590	29.200	4	113.7590	29.200	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	112.2470	0.000	1	111.8770	0.274	2	111.8770	0.274	2	113.2277	5.610	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	111.5070	0.000	1	111.8770	0.274	2	111.8770	0.274	2	113.2277	5.610	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:I-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I){1|H<1>,1|O<1>,8|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|I<1>,1|O<1>,2|C<4>,6|H<1>}	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	113.2277	5.610	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	121.0982	1.684	4	121.0982	2.836	4	121.0982	2.836	4	119.0662	11.725	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	115.0020	0.751	2	115.0020	0.564	2	115.0020	0.564	2	119.0662	11.725	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	114.0640	0.218	2	114.0640	0.047	2	114.0640	0.047	2	114.0640	0.047	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	109.5570	0.000	1	109.5570	0.000	1	110.5820	2.101	2	110.5820	2.101	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	111.6070	0.000	1	111.6070	0.000	1	110.5820	2.101	2	110.5820	2.101	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	111.7557	6.585	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	110.7980	0.000	1	110.7980	0.000	1	110.3020	0.492	2	111.7557	6.585	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	109.8060	0.000	1	109.8060	0.000	1	110.3020	0.492	2	111.7557	6.585	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	115.1827	1.493	3	115.1827	2.229	3	115.1827	2.229	3	115.1827	2.229	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	116.5380	0.000	1	117.0557	0.238	3	117.0557	0.238	3	117.0557	0.238	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	117.3145	0.271	2	117.0557	0.238	3	117.0557	0.238	3	117.0557	0.238	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	116.1310	1.351	2	116.1310	1.824	2	116.1310	1.824	2	116.2973	0.647	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	116.5160	0.000	1	116.5160	0.000	1	116.4635	0.006	2	116.2973	0.647	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	116.4110	0.000	1	116.4110	0.000	1	116.4635	0.006	2	116.2973	0.647	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:2:4:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	109.5490	0.085	2	109.5490	0.007	2	109.5490	0.007	2	109.5490	0.007	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	116.6845	0.218	2	116.6845	0.048	2	116.6845	0.048	2	117.5097	2.067	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	117.5097	2.067	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|O<2>,7|H<1>}	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.9015	0.811	2	112.9015	0.658	2	112.9015	0.658	2	112.9015	0.658	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	110.8170	0.147	2	110.8170	0.022	2	110.8170	0.022	2	112.7456	3.473	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	114.5045	0.359	2	114.5045	0.129	2	114.5045	0.129	2	112.7456	3.473	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	112.7456	3.473	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{2|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	109.8472	4.523	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,5|C<4>,9|H<1>}	108.8990	0.191	4	108.8990	0.036	4	108.8990	0.036	4	109.8472	4.523	5	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	109.1610	0.254	4	109.1610	0.065	4	109.1610	0.065	4	108.9707	0.147	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	108.5900	0.325	2	108.5900	0.106	2	108.5900	0.106	2	108.9707	0.147	6	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	113.1330	5.737	2	113.1330	32.918	2	113.1330	32.918	2	113.6753	17.342	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	114.7600	0.000	1	114.7600	0.000	1	114.7600	0.000	1	113.6753	17.342	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]C)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	114.1255	0.416	2	114.1255	0.173	2	114.1255	0.173	2	114.1255	0.173	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	114.0500	0.000	2	114.0500	0.000	2	114.0500	0.000	2	114.0500	0.000	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	111.6160	0.000	1	111.6160	0.000	1	112.5080	1.591	2	112.5080	1.591	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	113.4000	0.000	1	113.4000	0.000	1	112.5080	1.591	2	112.5080	1.591	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	110.8120	0.000	1	110.8120	0.000	1	111.1744	0.077	5	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	111.2740	0.000	1	111.1690	0.016	3	111.1744	0.077	5	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	111.1165	0.128	2	111.1690	0.016	3	111.1744	0.077	5	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(H)2{2|C<4>,2|N<3>,3|H<1>}	111.5530	0.000	1	111.5530	0.000	1	111.1744	0.077	5	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(H)2{2|C<4>,2|N<3>,8|H<1>}	114.7980	0.000	1	114.7980	0.000	1	115.7790	0.757	3	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]N[5,6]O[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	116.2695	0.267	2	116.2695	0.071	2	115.7790	0.757	3	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|Br<1>,1|O<1>,3|C<4>,6|H<1>}	110.2050	0.000	1	110.2050	0.000	1	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,4|C<4>,6|H<1>}	111.6720	0.139	2	111.6720	0.019	2	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	110.9220	0.662	8	110.7847	0.495	13	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	110.5053	0.895	4	110.7847	0.495	13	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	110.8040	0.000	1	110.7847	0.495	13	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	113.2020	0.000	1	113.4506	0.525	5	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	112.4620	0.000	1	113.4506	0.525	5	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	113.6420	0.506	2	113.4506	0.525	5	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	114.3050	0.000	1	113.4506	0.525	5	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	113.6693	0.393	3	113.6693	0.155	3	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	113.3473	1.645	3	113.3473	2.705	3	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.2520	0.000	1	113.2520	0.000	1	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	110.3000	0.000	1	110.3000	0.000	1	111.9174	2.321	29	112.2331	3.166	39	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	111.2080	2.150	2	111.2080	4.621	2	110.9548	1.629	4	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	110.7015	0.103	2	110.7015	0.011	2	110.9548	1.629	4	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2{2|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	114.1510	0.000	1	114.1510	0.000	1	114.1510	0.000	1	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	111.5756	2.180	8	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H)	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(COO)(H){2|C<4>,2|N<3>,3|H<1>}	112.4860	0.775	2	112.4860	0.601	2	112.4860	0.601	2	112.0215	1.976	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	112.0215	1.976	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	112.0215	1.976	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.2150	0.720	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	108.2150	0.720	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	108.0595	0.179	2	108.0595	0.032	2	108.0595	0.032	2	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	108.5690	0.485	2	108.5690	0.235	2	108.5690	0.235	2	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	109.5475	0.129	2	109.5475	0.017	2	108.4847	3.397	3	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	106.3590	0.000	1	106.3590	0.000	1	108.4847	3.397	3	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	109.5228	6.077	9	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	119.8710	0.000	1	119.6097	0.078	3	119.6097	0.078	3	119.1955	0.738	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.4790	0.231	2	119.6097	0.078	3	119.6097	0.078	3	119.1955	0.738	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	119.1955	0.738	4	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	111.1070	0.000	1	112.7190	5.197	2	112.7190	5.197	2	112.7190	5.197	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	114.3310	0.000	1	112.7190	5.197	2	112.7190	5.197	2	112.7190	5.197	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H)	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]O)(SC[6a])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	113.6980	0.000	2	113.6980	0.000	2	113.6980	0.000	2	112.1923	6.801	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	112.1923	6.801	3	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	116.7150	0.338	2	116.7150	0.114	2	116.7150	0.114	2	116.7150	0.114	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	116.4210	1.005	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:S-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]S)(C[5,5,6]C[5,6]O[5,5]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	116.4210	1.005	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	110.3090	0.000	1	109.4535	1.464	2	109.4535	1.464	2	109.4535	1.464	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	108.5980	0.000	1	109.4535	1.464	2	109.4535	1.464	2	109.4535	1.464	2	113.5483	9.282	333	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	2:3:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	115.2870	0.000	1	115.2870	0.000	1	115.2355	1.478	4	115.2355	1.478	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	2:3:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	114.3590	0.000	2	114.3590	0.000	2	115.2355	1.478	4	115.2355	1.478	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	2:3:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.9370	0.000	1	116.9370	0.000	1	115.2355	1.478	4	115.2355	1.478	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	2:3:4:4:	4:4:4:1:	4:4:4:1:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:2:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]C[6])(C[5]C[5,6]HH)(H)2{1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	112.2897	6.279	6	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.0887	0.944	3	114.0887	0.892	3	113.4320	2.320	4	112.2897	6.279	6	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.4620	0.000	1	111.4620	0.000	1	113.4320	2.320	4	112.2897	6.279	6	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.2897	6.279	6	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:3:4:4:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:2:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:3:2:1:	4:4:1:1:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	114.8580	1.254	3	114.8580	1.572	3	114.8580	1.572	3	114.8580	1.572	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	112.3330	0.000	1	112.3330	0.000	1	113.1903	0.566	3	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	113.6190	0.170	2	113.6190	0.029	2	113.1903	0.566	3	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:S[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5]S[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(S[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.3775	0.012	2	108.3775	0.000	2	108.3775	0.000	2	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.9480	0.000	1	109.9480	0.000	1	109.9430	0.000	2	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.9380	0.000	1	109.9380	0.000	1	109.9430	0.000	2	110.9866	4.568	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	113.9135	1.191	2	113.8810	0.713	3	113.8810	0.713	3	113.8810	0.713	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{2|C<3>,2|C<4>,5|H<1>}	113.8160	0.000	1	113.8810	0.713	3	113.8810	0.713	3	113.8810	0.713	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{2|C<3>,2|C<4>,5|H<1>}	113.0677	0.136	3	113.0677	0.018	3	113.2405	0.132	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6a]N[6])(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	113.7590	0.000	1	113.7590	0.000	1	113.2405	0.132	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{4|H<1>,5|C<4>}	110.1230	0.000	1	110.8333	0.671	3	111.5302	2.390	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	111.7290	0.000	1	110.8333	0.671	3	111.5302	2.390	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	110.6480	0.000	1	110.8333	0.671	3	111.5302	2.390	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	113.6210	0.000	1	113.6210	0.000	1	111.5302	2.390	4	112.3854	1.916	8	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	114.1480	0.954	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<3>,4|C<4>,5|H<1>}	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	114.1480	0.954	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	115.0520	0.000	1	115.0520	0.000	1	115.0520	0.000	1	114.1480	0.954	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	117.2710	0.141	2	117.2710	0.020	2	117.2710	0.020	2	117.2710	0.020	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)(H)2{1|H<1>,1|O<2>,6|C<4>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	111.2210	8.862	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:N[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,4|C<3>,4|H<1>}	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	111.2210	8.862	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:3:4:1:	4:2:3:1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:O[5]-2:C-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	119.4287	0.683	3	119.4287	0.467	3	119.4287	0.467	3	119.4287	0.467	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	109.3763	1.809	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	109.3763	1.809	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.3763	1.809	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	113.9960	0.000	1	113.9960	0.000	1	114.2800	0.161	2	112.8780	2.723	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	114.5640	0.000	1	114.5640	0.000	1	114.2800	0.161	2	112.8780	2.723	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	112.8780	2.723	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	112.8780	2.723	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:3:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	109.0650	0.000	1	109.0650	0.000	1	109.1295	0.008	2	109.1295	0.008	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	109.1940	0.000	1	109.1940	0.000	1	109.1295	0.008	2	109.1295	0.008	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,5|H<1>}	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]HH)(CCH)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.6240	0.628	2	108.6240	0.394	2	108.6240	0.394	2	108.6240	0.394	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:2:1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:2:4:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	108.3180	7.345	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.3180	7.345	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	108.3180	7.345	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.8200	0.025	2	108.8200	0.001	2	108.8200	0.001	2	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.5290	0.096	2	112.5290	0.009	2	113.1347	0.611	4	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.3180	0.000	1	113.3180	0.000	1	113.1347	0.611	4	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{2|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	114.1630	0.000	1	114.1630	0.000	1	113.1347	0.611	4	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	111.5476	6.358	9	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.2040	0.310	2	110.2040	0.096	2	110.2040	0.096	2	110.2040	0.096	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.4315	0.981	2	113.4315	0.962	2	112.8360	1.545	3	112.8360	1.545	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	111.6450	0.000	1	111.6450	0.000	1	112.8360	1.545	3	112.8360	1.545	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-3:H-1:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CCH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.3905	0.678	2	109.3905	0.460	2	109.3905	0.460	2	109.3905	0.460	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	106.6285	0.711	2	106.6285	0.505	2	106.6285	0.505	2	106.6285	0.505	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	113.6787	0.979	10	113.6787	0.958	10	111.8766	5.938	21	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	109.5810	0.258	10	109.5810	0.066	10	111.8766	5.938	21	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	116.8120	0.000	1	116.8120	0.000	1	111.8766	5.938	21	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	109.5717	0.774	3	109.5717	0.599	3	111.7196	3.628	8	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	112.6010	0.641	2	113.0084	0.513	5	111.7196	3.628	8	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	112.4290	0.000	1	113.0084	0.513	5	111.7196	3.628	8	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	113.7055	0.052	2	113.0084	0.513	5	111.7196	3.628	8	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	109.4490	0.000	1	109.4490	0.000	1	108.8675	0.676	2	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	108.2860	0.000	1	108.2860	0.000	1	108.8675	0.676	2	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	111.5843	5.314	32	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	111.4180	0.106	2	111.4180	0.011	2	111.4180	0.011	2	111.4180	0.011	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:Br-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(Br)(H){5|C<4>,5|H<1>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	110.4407	0.352	3	110.7030	0.358	4	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{4|C<4>,6|H<1>}	111.4900	0.000	1	110.7030	0.358	4	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]N)(H)2{5|C<4>,5|H<1>}	114.0611	0.552	8	114.0611	0.304	8	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{5|C<4>,5|H<1>}	114.6180	0.818	4	114.6180	0.668	4	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	110.7990	1.189	3	110.7990	1.413	3	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	113.4560	0.000	1	113.4560	0.000	1	112.9813	3.334	20	113.2710	4.189	22	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	107.9995	0.238	2	107.9995	0.057	2	107.9995	0.057	2	111.8893	20.193	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	115.7790	0.017	2	115.7790	0.000	2	115.7790	0.000	2	111.8893	20.193	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[6]2)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5]C[5,5]HH)(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	114.6490	0.000	1	114.6490	0.000	1	113.9270	1.043	2	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	113.2050	0.000	1	113.2050	0.000	1	113.9270	1.043	2	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2{2|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	113.7020	0.000	1	113.7020	0.000	1	111.8855	6.599	2	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]N[5,6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	110.0690	0.000	1	110.0690	0.000	1	111.8855	6.599	2	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	112.7870	0.000	1	112.7870	0.000	1	113.8560	0.932	3	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.6640	0.000	1	114.6640	0.000	1	113.8560	0.932	3	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	114.1170	0.000	1	114.1170	0.000	1	113.8560	0.932	3	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(H)2{4|C<4>,6|H<1>}	109.7120	0.000	1	109.7120	0.000	1	111.8667	4.969	6	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	110.6550	0.000	1	110.7030	0.100	3	111.8667	4.969	6	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{4|C<4>,6|H<1>}	110.7270	0.444	2	110.7030	0.100	3	111.8667	4.969	6	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{5|C<4>,5|H<1>}	114.6460	0.000	1	114.6460	0.000	1	111.8667	4.969	6	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HO)(H)2{1|O<2>,4|H<1>,5|C<4>}	114.7330	0.000	1	114.7330	0.000	1	111.8667	4.969	6	112.2336	4.089	18	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	115.2650	0.757	2	115.2650	0.572	2	115.2650	0.572	2	112.0422	16.169	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	112.0422	16.169	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	112.0422	16.169	4	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	111.0450	0.000	2	111.0450	0.000	2	111.0450	0.000	2	111.0887	0.006	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.0887	0.006	3	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	111.1330	2.775	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	111.1330	2.775	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	113.7410	2.771	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CO)(H)2{1|O<2>,4|C<4>,5|H<1>}	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	113.7410	2.771	2	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	112.2051	7.165	189	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	117.4250	10.656	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	113.6450	0.566	2	117.4250	10.656	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]2H)(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	113.6450	0.566	2	117.4250	10.656	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5]	4:4:3:2:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5])	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3)	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[3x6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	117.4250	10.656	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[3x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	120.6900	0.378	2	120.6900	0.143	2	120.6900	0.143	2	120.6900	0.143	2	117.4250	10.656	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[4x6]	C[5]	4:3:4:1:	4:4:3:3:	4:4:1:1:	C[4x6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	118.8120	0.000	1	118.8120	0.000	1	118.8120	0.000	1	118.8120	0.000	1	120.0810	3.221	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[4x6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	C[5](C[5,6]C[4x6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.3500	0.000	1	121.3500	0.000	1	121.3500	0.000	1	121.3500	0.000	1	120.0810	3.221	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<4>}	120.4780	0.000	1	120.4780	0.000	1	120.4780	0.000	1	120.4780	0.000	1	120.5910	0.026	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5]	4:4:4:4:	4:4:4:4:	4:3:3:1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	120.5910	0.026	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2{4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	113.1205	0.774	4	113.1205	0.599	4	113.1205	0.599	4	113.1205	0.599	4	113.1205	0.599	4	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:1:	4:4:3:3:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	115.9520	0.000	1	115.9520	0.000	1	116.4620	0.215	3	116.4620	0.215	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:1:	4:4:3:3:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	116.5770	0.000	1	116.5770	0.000	1	116.4620	0.215	3	116.4620	0.215	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:1:	4:4:3:3:	4:4:1:1:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2{2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	116.8570	0.000	1	116.8570	0.000	1	116.4620	0.215	3	116.4620	0.215	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:4:	4:2:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	112.5160	0.000	1	112.7013	0.096	3	112.7013	0.096	3	112.7013	0.096	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:4:	4:2:1:1:	C[5,6]-3:C[6,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[5]O[5]HH)(CCC){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>}	112.7940	0.375	2	112.7013	0.096	3	112.7013	0.096	3	112.7013	0.096	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:3:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:1:	3:4:3:3:	4:4:4:1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	113.2490	0.000	1	113.2490	0.000	1	113.2490	0.000	1	113.2490	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:S[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(S[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)(H)2{5|C<4>}	114.5010	0.523	2	114.5010	0.274	2	114.5010	0.274	2	114.5010	0.274	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:2:	4:4:4:1:	4:4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(C[5]C[5]2)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.0515	0.028	2	116.0515	0.001	2	116.0515	0.001	2	116.0515	0.001	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:3:	4:4:3:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]N[5,5,6])(C[5]C[5,5]HH)(CCO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,6]C[6,6]O[5,6]C)(H)2{3|H<1>,4|C<4>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:2:4:4:	4:4:4:3:	4:4:1:1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO){1|S<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>}	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:3:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	120.0470	0.209	2	120.0470	0.044	2	120.0470	0.044	2	120.0470	0.044	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,4|C<4>}	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:3:4:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	118.6855	0.084	2	118.6855	0.007	2	118.6855	0.007	2	118.6855	0.007	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	115.9416	2.090	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	116.0670	0.115	2	116.0670	0.013	2	115.4835	1.388	4	115.9416	2.090	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	114.9000	1.670	2	114.9000	2.790	2	115.4835	1.388	4	115.9416	2.090	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|C<4>}	119.8158	0.364	4	119.8158	0.132	4	119.8158	0.132	4	119.8158	0.132	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:4:	4:2:2:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	119.9580	0.000	1	119.9580	0.000	1	119.4210	0.407	3	119.4210	0.407	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:4:	4:2:2:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	119.1525	0.617	2	119.1525	0.381	2	119.4210	0.407	3	119.4210	0.407	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,6|C<4>}	121.4150	0.100	2	121.4150	0.010	2	121.4150	0.010	2	121.4150	0.010	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:3:4:	4:4:2:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,4|C<4>}	111.6420	0.000	1	111.6420	0.000	1	112.1193	0.189	3	112.1193	0.189	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,4|C<4>}	112.2230	0.000	1	112.2230	0.000	1	112.1193	0.189	3	112.1193	0.189	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.4930	0.000	1	112.4930	0.000	1	112.1193	0.189	3	112.1193	0.189	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{5|C<4>}	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	113.9405	0.153	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:3:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{5|C<4>}	113.6640	0.000	1	113.6640	0.000	1	113.6640	0.000	1	113.9405	0.153	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:2:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[5]-4:O[5,6]-2:C-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	116.9260	0.069	2	116.9260	0.005	2	116.9260	0.005	2	116.9260	0.005	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:3:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>}	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:3:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	113.4495	1.227	2	113.6209	0.639	7	113.6209	0.639	7	113.6209	0.639	7	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:2:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	113.6894	0.750	5	113.6209	0.639	7	113.6209	0.639	7	113.6209	0.639	7	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<1>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	115.6790	19.845	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	115.6790	19.845	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:2:4:2:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	115.1280	0.000	1	115.1280	0.000	1	115.1280	0.000	1	115.1280	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:2:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	120.0980	0.000	1	120.4655	0.270	2	120.4655	0.270	2	120.4655	0.270	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	120.8330	0.000	1	120.4655	0.270	2	120.4655	0.270	2	120.4655	0.270	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.1920	0.133	2	119.1920	0.018	2	119.1920	0.018	2	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.8890	0.000	1	116.8890	0.000	1	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.9490	0.000	1	117.9490	0.000	1	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.3720	0.000	1	119.8236	0.403	5	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.1840	0.000	1	119.8236	0.403	5	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.0630	0.000	1	119.8236	0.403	5	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.9720	0.000	1	119.8236	0.403	5	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	120.5270	0.000	1	119.8236	0.403	5	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.7020	0.000	1	117.1790	0.354	3	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.5320	0.000	1	117.1790	0.354	3	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.3030	0.000	1	117.1790	0.354	3	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.4510	0.284	2	117.4510	0.081	2	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.6385	0.400	2	118.6385	0.160	2	118.4051	1.659	14	118.5927	1.552	17	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.8090	0.000	1	117.1063	2.216	3	117.1063	2.216	3	117.1063	2.216	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	116.0500	0.000	1	117.1063	2.216	3	117.1063	2.216	3	117.1063	2.216	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	116.4600	0.000	1	117.1063	2.216	3	117.1063	2.216	3	117.1063	2.216	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:2:	4:3:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	113.6035	0.172	2	113.6035	0.030	2	113.6035	0.030	2	113.6035	0.030	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	116.2096	0.185	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	115.9530	0.351	3	116.1090	0.179	4	116.1090	0.179	4	116.2096	0.185	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	116.5770	0.000	1	116.1090	0.179	4	116.1090	0.179	4	116.2096	0.185	5	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	122.8010	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.6100	0.000	1	113.6100	0.000	1	113.6100	0.000	1	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	118.8512	0.758	4	118.8512	0.574	4	118.8512	0.574	4	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.8890	0.000	1	121.2007	0.483	3	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.8565	0.506	2	121.2007	0.483	3	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.2650	0.000	1	119.2650	0.000	1	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.4550	0.000	1	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.6330	0.000	1	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.4990	0.000	1	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.6435	0.107	2	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.3275	0.344	2	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.2730	0.000	2	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	120.4920	0.000	1	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.3037	1.429	3	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.4290	0.000	1	120.7076	0.912	14	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.6460	0.694	2	118.6006	0.734	8	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.2180	0.209	2	118.6006	0.734	8	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.9513	0.490	3	118.6006	0.734	8	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	119.2230	0.000	1	118.6006	0.734	8	120.0607	1.816	26	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	113.5700	0.000	1	113.5700	0.000	1	113.5700	0.000	1	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	118.4410	0.000	1	118.4410	0.000	1	119.0190	0.668	2	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.5970	0.000	1	119.5970	0.000	1	119.0190	0.668	2	119.4278	3.924	36	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.5895	0.735	2	121.5895	0.540	2	121.5895	0.540	2	121.5895	0.540	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5,6]C[5,3x6]C[6,6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	114.5987	0.441	3	114.5987	0.194	3	114.5987	0.194	3	114.5987	0.194	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	122.4630	0.000	2	122.4630	0.000	2	122.4630	0.000	2	122.4630	0.000	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	120.0250	0.000	1	120.0250	0.000	1	120.0250	0.000	1	119.2560	1.183	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	119.2560	1.183	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	120.3150	0.000	1	120.3150	0.000	1	119.8662	0.208	6	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	119.9880	0.000	1	119.7764	0.199	5	119.8662	0.208	6	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	119.7235	0.497	4	119.7764	0.199	5	119.8662	0.208	6	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,2|N<2>,4|C<4>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.5530	0.492	4	121.1990	2.159	17	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	122.6093	0.554	6	121.1990	2.159	17	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|H<1>,4|C<4>}	123.1860	0.000	1	121.1990	2.159	17	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.1575	1.084	4	121.1990	2.159	17	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.3495	0.177	2	121.1990	2.159	17	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.7240	0.000	1	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|I<1>,4|C<4>}	120.5915	0.387	2	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	122.1085	0.462	2	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,4|C<4>}	122.5120	0.000	1	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	122.4550	0.000	1	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	122.1100	0.000	1	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	122.6240	0.000	1	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	122.0100	0.915	6	121.7923	0.996	15	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	120.9710	1.092	2	119.9243	1.876	4	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	118.8775	0.228	2	119.9243	1.876	4	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	119.3590	0.000	1	119.3590	0.000	1	121.2520	1.922	37	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	119.8100	0.000	1	119.8100	0.000	1	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.3240	0.000	1	121.3240	0.000	1	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|Br<1>,1|H<1>,4|C<4>}	122.0700	0.000	1	121.0527	1.146	7	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.4882	0.506	4	121.0527	1.146	7	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.6730	0.710	2	121.0527	1.146	7	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.4920	0.000	1	120.8837	1.453	3	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.5795	0.036	2	120.8837	1.453	3	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,5|C<4>}	120.2630	0.000	1	120.2630	0.000	1	120.8782	0.976	13	120.9759	1.749	59	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:4:2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{2|H<1>,5|C<4>}	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.2953	0.346	3	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.5910	0.000	1	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.6350	0.000	1	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	120.3390	0.331	2	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	120.4770	0.000	1	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.1440	0.000	1	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.1215	0.028	2	121.0595	0.252	11	121.0595	0.252	11	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	118.3070	0.000	1	118.3070	0.000	1	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.4940	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.0257	0.975	9	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.5350	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	119.2100	0.812	4	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	120.2380	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	121.5160	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.2845	0.914	2	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	119.6150	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	121.1570	0.477	3	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.7720	0.000	1	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	119.5915	0.675	2	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	120.4320	0.885	10	120.2162	0.835	36	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	119.9390	0.409	4	119.8142	0.204	5	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{2|H<1>,6|C<4>}	119.3150	0.000	1	119.8142	0.204	5	120.1229	0.832	42	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	119.3790	0.000	1	119.3790	0.000	1	118.2335	6.432	10	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	119.7985	0.432	6	119.7985	0.186	6	118.2335	6.432	10	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	114.7217	1.406	3	114.7217	1.977	3	118.2335	6.432	10	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[3,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	111.6990	0.000	1	111.6990	0.000	1	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	118.6425	0.701	2	118.6425	0.491	2	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.5880	0.000	1	118.5880	0.000	1	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.3395	0.281	2	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	118.5295	0.759	2	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	118.4960	0.000	1	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	119.3230	0.000	1	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	119.3870	0.614	2	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	120.1260	0.000	1	119.1619	0.424	9	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.5830	0.944	5	118.5830	0.892	5	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.7220	0.000	1	120.7220	0.000	1	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.9400	0.000	1	118.9400	0.000	1	118.6303	3.291	20	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,1|S<4>,2|H<1>,4|C<4>}	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	120.4330	0.000	1	120.5420	0.512	3	120.5420	0.512	3	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	119.8870	0.000	1	120.5420	0.512	3	120.5420	0.512	3	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	121.3060	0.000	1	120.5420	0.512	3	120.5420	0.512	3	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[4,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	119.4510	0.509	2	119.4510	0.259	2	119.6175	0.189	6	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	119.9870	0.516	2	119.7007	0.201	4	119.6175	0.189	6	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	119.3480	0.000	1	119.7007	0.201	4	119.6175	0.189	6	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.4810	0.000	1	119.7007	0.201	4	119.6175	0.189	6	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	115.9190	0.000	1	115.9190	0.000	1	118.2472	2.743	4	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.2110	0.890	2	119.2110	0.791	2	118.2472	2.743	4	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	118.6480	0.000	1	118.6480	0.000	1	118.2472	2.743	4	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.4840	0.000	1	119.7850	0.181	2	119.7850	0.181	2	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	120.0860	0.000	1	119.7850	0.181	2	119.7850	0.181	2	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.4585	0.378	2	118.4585	0.143	2	118.4585	0.143	2	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	113.3840	0.612	2	113.3840	0.375	2	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.7310	0.000	1	119.0830	0.435	5	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.1480	0.000	1	119.0830	0.435	5	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.8453	0.394	3	119.0830	0.435	5	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	119.4110	0.000	1	119.4110	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.9545	0.593	4	118.9922	0.496	8	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.9050	0.000	1	118.9922	0.496	8	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.3300	0.000	1	118.9922	0.496	8	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.4425	0.101	2	118.9922	0.496	8	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.9880	0.000	1	119.9880	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.1110	0.000	1	118.5655	1.594	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.0650	0.000	1	118.5655	1.594	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	117.0990	0.000	1	118.5655	1.594	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.9870	0.000	1	118.5655	1.594	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.6970	0.000	1	119.6970	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	120.3885	1.613	2	120.3885	2.601	2	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.2640	1.027	3	118.2062	0.716	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]BrH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.0330	0.000	1	118.2062	0.716	4	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.4620	0.000	1	119.4620	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.5000	1.510	2	118.5000	2.281	2	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,4|C<4>}	119.3550	0.127	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	118.3250	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.1211	0.739	10	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	118.9908	0.410	5	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.4750	0.488	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	118.9185	0.774	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|I<1>,2|H<1>,4|C<4>}	119.9273	0.308	4	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.0510	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.9650	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.2410	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.4385	0.429	11	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.5590	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.1230	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	120.3690	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.7780	0.532	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	121.1830	1.202	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.3420	0.223	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.4770	0.074	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.5650	0.324	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.0050	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.3520	0.154	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.3140	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	116.9868	4.758	4	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	120.4290	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.7335	0.284	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.2705	0.586	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.3224	1.133	63	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.1843	0.987	6	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.8575	0.606	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.8747	0.212	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.9293	0.176	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.3990	0.231	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.1690	0.696	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,4|C<4>}	120.4077	3.283	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	120.3820	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.8474	1.312	5	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.6312	3.007	39	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.3400	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.9170	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.1500	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.7015	0.132	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.3680	0.963	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.5810	1.423	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.0873	0.594	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.0297	1.246	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.6610	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	118.9170	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.2020	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.3425	1.073	8	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.7550	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.0500	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.4494	1.008	11	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	119.0090	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.6830	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.4723	0.425	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	119.4970	0.823	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.8246	0.566	37	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.6416	0.610	26	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	120.3460	0.354	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.0130	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.0694	0.730	12	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.8000	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.6727	0.319	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.7494	0.496	10	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.8930	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	119.6210	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.1340	0.000	1	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	117.9155	2.218	2	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.2597	0.802	3	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.5851	0.922	50	119.0368	2.168	392	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	118.3075	0.202	2	119.0005	0.908	6	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	117.9860	0.000	1	119.0005	0.908	6	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.4950	0.000	1	119.0005	0.908	6	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	120.4280	0.000	1	119.0005	0.908	6	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	119.4790	0.000	1	119.0005	0.908	6	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.8520	0.000	2	116.8520	0.000	2	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.8278	0.874	4	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.3570	0.000	1	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.7445	0.965	2	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.7540	0.000	2	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	120.0260	1.047	2	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	118.2337	0.881	93	118.3312	0.856	104	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.6050	0.000	1	119.6183	0.891	3	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	118.6810	0.000	1	119.6183	0.891	3	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.5690	0.000	1	119.6183	0.891	3	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	118.1040	0.000	1	118.1040	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	111.0890	0.000	1	111.0890	0.000	1	118.8559	2.118	540	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2{1|O<1>,3|H<1>,6|C<4>}	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>,5|C<4>}	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.5825	1.534	2	119.4147	1.261	3	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.0790	0.000	1	119.4147	1.261	3	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.0940	0.000	1	119.0940	0.000	1	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.7247	1.096	6	118.7247	1.200	6	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.9250	0.000	1	119.9250	0.000	1	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.0500	0.000	1	121.0500	0.000	1	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	122.5420	0.653	2	120.6959	1.907	10	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.2954	1.155	7	120.6959	1.907	10	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.8070	0.000	1	120.6959	1.907	10	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,4|C<4>}	119.9100	0.276	2	119.9100	0.076	2	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	119.2890	0.000	1	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	119.4287	0.505	35	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,5|C<4>}	121.1100	0.000	1	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	120.7228	1.022	18	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	119.8324	0.548	29	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	117.1170	0.000	1	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	120.5760	0.675	3	119.8568	0.766	88	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	121.5507	0.095	3	121.5507	0.009	3	119.9086	1.035	115	119.1253	2.178	761	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	120.4987	0.233	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	120.4460	0.000	1	120.4460	0.000	1	120.7260	0.157	2	120.4987	0.233	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	121.0060	0.000	1	121.0060	0.000	1	120.7260	0.157	2	120.4987	0.233	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){3|H<1>,4|C<4>}	119.9558	0.894	10	119.8901	0.704	13	119.8358	0.691	14	119.8358	0.691	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	119.6710	0.732	3	119.8901	0.704	13	119.8358	0.691	14	119.8358	0.691	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	119.1300	0.000	1	119.1300	0.000	1	119.8358	0.691	14	119.8358	0.691	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	120.5135	2.089	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	119.8820	0.824	2	119.8820	0.680	2	120.7740	2.727	3	120.5135	2.089	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCN)(H){3|H<1>,4|C<4>}	122.5580	0.000	1	122.5580	0.000	1	120.7740	2.727	3	120.5135	2.089	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	109.6770	1.045	4	109.6770	1.092	4	110.0377	1.061	11	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	110.1055	0.416	4	110.3428	0.411	5	110.0377	1.061	11	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	111.2920	0.000	1	110.3428	0.411	5	110.0377	1.061	11	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,7|C<4>}	108.4630	0.000	1	108.4630	0.000	1	110.0377	1.061	11	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|O<2>,6|C<4>}	111.5300	0.000	1	111.5300	0.000	1	110.0377	1.061	11	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:N[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6])	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	110.4683	3.190	12	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	110.0590	0.000	1	110.0590	0.000	1	108.7695	1.369	6	108.7695	1.369	6	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	109.6580	0.000	1	109.6580	0.000	1	108.7695	1.369	6	108.7695	1.369	6	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	107.8180	0.027	2	107.7133	0.033	3	108.7695	1.369	6	108.7695	1.369	6	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	107.5040	0.000	1	107.7133	0.033	3	108.7695	1.369	6	108.7695	1.369	6	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	109.7600	0.000	1	109.7600	0.000	1	108.7695	1.369	6	108.7695	1.369	6	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	127.7340	0.390	2	127.7340	0.152	2	127.7340	0.152	2	127.7340	0.152	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	3:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	122.4910	0.000	1	121.7977	0.361	3	121.7977	0.361	3	121.7977	0.361	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	3:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	121.4510	0.000	2	121.7977	0.361	3	121.7977	0.361	3	121.7977	0.361	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<1>,5|C<4>}	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-3:H-1:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3x5]N[5])(H)2{1|H<1>,1|O<2>,6|C<4>}	119.6585	0.008	2	119.6585	0.000	2	119.6585	0.000	2	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	122.2190	0.000	1	119.3870	16.040	2	119.3870	16.040	2	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	116.5550	0.000	1	119.3870	16.040	2	119.3870	16.040	2	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(B[5]O[5]O)(H)2{5|C<4>}	120.5750	3.434	2	120.5750	11.790	2	120.5750	11.790	2	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	119.8670	0.000	1	119.8670	0.000	1	121.4358	24.231	5	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	124.4590	0.000	1	121.8280	31.282	4	121.4358	24.231	5	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	119.3320	8.300	2	121.8280	31.282	4	121.4358	24.231	5	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(H)2{5|C<4>}	124.1890	0.000	1	121.8280	31.282	4	121.4358	24.231	5	120.5836	13.296	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	124.3795	0.438	2	124.3795	0.192	2	124.3795	0.192	2	124.3795	0.192	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	128.0370	0.000	1	128.0370	0.000	1	128.0370	0.000	1	128.0370	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[4,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H)	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	122.0183	0.602	3	122.0183	0.363	3	122.0183	0.363	3	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,5]C[5,5]O[5]2)(H)2{1|C<3>,1|H<1>,7|C<4>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	115.7940	0.000	1	115.7940	0.000	1	115.7940	0.000	1	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	114.9020	0.000	1	114.9020	0.000	1	114.9020	0.000	1	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(H)2{1|O<1>,1|O<2>,7|C<4>}	119.8000	0.000	1	119.8000	0.000	1	120.3028	0.659	4	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	121.5000	0.000	1	120.4703	0.820	3	120.3028	0.659	4	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)2(H)2{3|H<1>,7|C<4>}	119.9555	0.223	2	120.4703	0.820	3	120.3028	0.659	4	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[3,5]C[5]2)(H)2{1|O<1>,2|H<1>,3|O<2>,6|C<4>}	120.1500	0.068	2	120.1500	0.005	2	121.0107	2.225	3	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]2)(H)2{2|C<3>,6|C<4>}	122.7320	0.000	1	122.7320	0.000	1	121.0107	2.225	3	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	120.3250	0.628	3	120.3250	0.394	3	120.2592	5.643	8	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	119.6670	0.000	1	119.6670	0.000	1	120.2592	5.643	8	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	120.8335	0.349	2	120.8335	0.122	2	120.2592	5.643	8	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(H)2{6|C<4>}	115.5650	0.000	1	115.5650	0.000	1	120.2592	5.643	8	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]HO)(H)2{5|C<4>}	124.2000	0.000	1	124.2000	0.000	1	120.2592	5.643	8	120.2820	5.649	21	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	113.8400	0.000	1	113.8400	0.000	1	113.8400	0.000	1	113.8400	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.4395	0.060	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.4395	0.060	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.1875	0.027	4	109.1875	0.001	4	109.1875	0.001	4	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	117.4640	0.000	1	115.8175	5.422	2	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.1710	0.000	1	115.8175	5.422	2	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.1190	0.000	1	115.1190	0.000	1	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	115.8200	0.000	1	112.3896	8.061	5	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.8110	0.000	1	112.3896	8.061	5	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.0650	0.000	1	112.3896	8.061	5	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.1260	0.605	2	112.3896	8.061	5	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.4330	0.000	1	116.4330	0.000	1	113.9039	8.041	9	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	112.7004	10.546	14	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.1330	0.000	1	117.1330	0.000	1	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	116.5775	0.026	2	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.9910	0.000	1	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.7870	0.000	1	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.9940	0.004	2	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.8630	0.000	1	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.7835	0.798	10	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.6840	0.000	1	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	115.8350	0.000	1	116.0599	0.786	19	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.3360	0.000	1	115.5333	1.789	3	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	116.1320	1.195	2	115.5333	1.789	3	116.0379	0.895	23	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	116.1100	0.000	1	115.8937	0.071	3	115.8937	0.071	3	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.7855	0.267	2	115.8937	0.071	3	115.8937	0.071	3	116.0212	0.796	26	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	111.3330	0.657	3	111.3330	0.431	3	111.3330	0.431	3	111.3330	0.431	3	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	C[5](C[5,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.4295	0.146	2	116.4295	0.021	2	116.4295	0.021	2	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	116.3220	0.000	1	116.3287	0.087	4	116.3287	0.087	4	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	116.6310	0.000	1	116.3287	0.087	4	116.3287	0.087	4	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	116.1810	0.356	2	116.3287	0.087	4	116.3287	0.087	4	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	113.5230	0.000	1	113.7265	0.083	2	113.7265	0.083	2	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	113.9300	0.000	1	113.7265	0.083	2	113.7265	0.083	2	115.7034	1.543	8	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.8190	0.000	1	111.8190	0.000	1	111.3975	0.355	2	111.3975	0.355	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.9760	0.000	1	110.9760	0.000	1	111.3975	0.355	2	111.3975	0.355	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2{1|N<3>,2|H<1>,4|C<4>}	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.5665	0.177	4	112.5665	0.031	4	112.5665	0.031	4	112.5665	0.031	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:4:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.3610	0.000	1	112.3610	0.000	1	112.3610	0.000	1	112.3610	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.2258	0.965	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	110.2258	0.965	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.4485	0.433	2	109.4485	0.188	2	109.4485	0.188	2	110.2258	0.965	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	112.3868	4.544	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	112.3868	4.544	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	112.9915	0.276	2	112.9915	0.076	2	112.9915	0.076	2	112.3868	4.544	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	114.4715	1.471	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	114.4715	1.471	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2{1|H<1>,2|C<3>,4|C<4>}	106.5625	0.337	2	106.5625	0.114	2	106.5625	0.114	2	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{1|C<3>,1|H<1>,4|C<4>}	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	116.6560	0.000	1	116.6210	0.006	3	114.9386	6.481	8	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	116.6035	0.103	2	116.6210	0.006	3	114.9386	6.481	8	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	116.5310	0.000	1	116.5310	0.000	1	114.9386	6.481	8	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{2|H<1>,5|C<4>}	114.6717	0.115	3	114.6717	0.013	3	114.9386	6.481	8	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	109.1000	0.000	1	109.1000	0.000	1	114.9386	6.481	8	113.3973	15.971	11	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.8290	0.000	1	110.7052	1.672	11	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.5255	0.613	2	110.7052	1.672	11	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.2365	0.654	2	110.7052	1.672	11	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.2280	0.000	1	110.7052	1.672	11	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	109.4352	0.266	5	110.7052	1.672	11	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[3,5]HH)(H)2{2|H<1>,4|C<4>}	109.0700	0.000	1	109.0700	0.000	1	110.5689	1.743	12	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,5|C<4>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	113.4610	0.628	9	113.4610	0.394	9	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.5600	0.000	1	113.8140	1.061	5	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	114.8680	0.000	1	113.8140	1.061	5	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	113.2140	0.865	3	113.8140	1.061	5	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.1700	0.000	1	116.1700	0.000	1	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	112.6940	0.000	1	112.6940	0.000	1	113.6927	1.006	16	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	114.3160	0.590	2	114.3160	0.348	2	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.9480	0.000	1	116.9480	0.000	1	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(H)2{2|H<1>,5|C<4>}	113.3160	0.000	1	113.3160	0.000	1	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.7815	0.459	2	111.4127	5.726	3	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	108.6750	0.000	1	111.4127	5.726	3	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	116.4870	0.000	1	116.4870	0.000	1	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	115.7020	0.000	1	115.7020	0.000	1	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	116.0800	0.000	1	115.3870	0.960	2	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]O[5]CH)(H)2{2|H<1>,3|C<4>}	114.6940	0.000	1	115.3870	0.960	2	114.1906	5.473	11	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	113.1962	5.704	43	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	114.9100	0.878	2	114.9100	0.771	2	115.0453	0.441	3	113.1000	15.431	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	115.3160	0.000	1	115.3160	0.000	1	115.0453	0.441	3	113.1000	15.431	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	113.1000	15.431	4	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]CO)(CHO)(H){1|H<1>,1|O<1>,4|C<4>}	115.7010	0.754	2	115.7010	0.568	2	115.7010	0.568	2	115.7010	0.568	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]2C[5])(O[5]C[5])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.3085	0.880	2	109.3085	0.775	2	109.3085	0.775	2	109.3085	0.775	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[6,6]2C[5])(C[5]O[5]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	114.3820	0.143	2	114.3820	0.020	2	114.3820	0.020	2	114.3820	0.020	2	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	115.9380	0.000	1	116.9881	0.681	30	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.0820	0.000	1	116.9881	0.681	30	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.7995	0.737	6	116.9881	0.681	30	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	117.0031	1.001	14	116.9881	0.681	30	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	117.2230	0.566	8	116.9881	0.681	30	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	116.1950	0.031	2	116.1950	0.001	2	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	117.7330	0.000	1	116.9944	0.475	5	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	116.8680	0.000	1	116.9944	0.475	5	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.7903	0.780	3	116.9944	0.475	5	116.9461	0.635	37	116.9461	0.635	37	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	108.5995	0.828	2	108.6593	0.258	4	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	108.9130	0.000	1	108.6593	0.258	4	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|Br<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	108.5250	0.000	1	108.6593	0.258	4	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	110.0120	2.415	4	110.0120	5.832	4	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	107.4440	0.000	1	107.4440	0.000	1	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	108.3350	0.000	1	108.3350	0.000	1	109.0464	2.853	10	109.0464	2.853	10	118.1747	9.232	1237	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5]	4:3:4:4:	4:2:1:1:	4:4:4:2:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,9|H<1>}	114.3770	0.000	1	114.3770	0.000	1	114.3770	0.000	1	114.3770	0.000	1	116.3052	14.129	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3x5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|O<2>,3|C<4>,7|H<1>}	119.9835	0.559	2	119.9835	0.313	2	119.9835	0.313	2	119.9835	0.313	2	116.3052	14.129	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5]	4:4:4:4:	4:2:1:1:	4:4:4:2:	C[3x5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[3x5](C[5,6]C[5,6]C[6]C)(C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,9|H<1>}	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	116.3052	14.129	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[3x5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3){1|B<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	116.3052	14.129	5	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:2:3:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:3:	4:4:2:1:	4:4:4:3:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	112.8000	0.342	2	112.8000	0.117	2	112.8000	0.117	2	112.8000	0.117	2	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	3:4:4:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	113.0184	7.099	7	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	113.5870	0.000	1	113.5870	0.000	1	113.5870	0.000	1	114.0640	0.455	2	114.0640	0.455	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	114.5410	0.000	1	114.5410	0.000	1	114.5410	0.000	1	114.0640	0.455	2	114.0640	0.455	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	119.0620	0.000	2	119.0620	0.000	2	119.0620	0.000	2	119.0620	0.000	2	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	121.5185	0.118	2	121.5185	0.014	2	121.5185	0.014	2	121.5185	0.014	2	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,1|S<4>,4|H<1>,5|C<4>}	118.7450	0.000	1	117.1743	1.854	3	117.1743	1.854	3	117.1743	1.854	3	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	116.3890	0.088	2	117.1743	1.854	3	117.1743	1.854	3	117.1743	1.854	3	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	118.1550	0.000	1	117.7237	10.613	4	117.7237	10.613	4	117.7237	10.613	4	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	115.3085	0.795	2	117.7237	10.613	4	117.7237	10.613	4	117.7237	10.613	4	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	122.1230	0.000	1	117.7237	10.613	4	117.7237	10.613	4	117.7237	10.613	4	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	112.6462	0.643	4	112.6462	0.413	4	112.9244	0.697	5	112.9244	0.697	5	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,5|H<1>}	114.0370	0.000	1	114.0370	0.000	1	112.9244	0.697	5	112.9244	0.697	5	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H)	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3,5,6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,6|H<1>}	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	117.4658	10.743	23	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:3:4:	4:4:1:1:	4:4:3:1:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:3:1:1:	4:4:3:3:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:4:1:1:	4:4:3:2:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[5]C[5,6a]O)(S[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:1:	4:4:4:1:	4:4:3:1:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	3:4:4:2:	4:2:1:1:	4:4:2:1:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:2:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:2:4:1:	4:3:1:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6,6]C[5]C[6])(C[5,6]O[5,6]C[6]H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:2:4:1:	4:3:2:1:	4:4:4:1:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:2:4:1:	4:4:1:1:	3:4:4:3:	C[5,5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:2:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.4960	2.271	2	118.4960	5.158	2	118.4960	5.158	2	118.4960	5.158	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:2:1:1:	3:4:3:3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:3:1:1:	3:4:4:2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	112.0790	0.000	2	112.0790	0.000	2	112.0790	0.000	2	112.0790	0.000	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:3:1:1:	4:3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	114.1610	1.049	2	114.1610	1.101	2	113.8528	0.447	5	113.8528	0.447	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:3:1:1:	4:3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	113.6473	0.430	3	113.6473	0.185	3	113.8528	0.447	5	113.8528	0.447	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:3:1:1:	4:4:3:2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.3990	0.000	2	109.3990	0.000	2	109.3990	0.000	2	109.3990	0.000	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	3:4:4:3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	118.7035	0.826	4	118.5398	0.645	5	118.5398	0.645	5	117.8158	3.661	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	3:4:4:3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	117.8850	0.000	1	118.5398	0.645	5	118.5398	0.645	5	117.8158	3.661	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	3:4:4:3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	117.8158	3.661	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.5557	10.171	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	118.6340	0.000	1	118.6340	0.000	1	115.4500	20.276	2	115.5557	10.171	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){2|C<4>,4|H<1>}	112.2660	0.000	1	112.2660	0.000	1	115.4500	20.276	2	115.5557	10.171	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[3,5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	113.1075	6.628	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	113.1075	6.628	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	119.4680	0.000	1	118.8025	0.886	2	118.1923	1.560	3	118.1923	1.560	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	118.1370	0.000	1	118.8025	0.886	2	118.1923	1.560	3	118.1923	1.560	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	116.9720	0.000	1	116.9720	0.000	1	118.1923	1.560	3	118.1923	1.560	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:3:1:	4:4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:3:	4:4:1:1:	4:4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:3:1:	4:3:3:4:	C[5,5]-4:N[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:N[5]-3:C[5]-4:	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH)	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|O<1>,7|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]O[5,6]C[6]H)(C[5]C[5]O)(H){2|H<1>,2|O<2>,3|C<4>}	116.7002	0.620	5	116.7002	0.384	5	116.7002	0.384	5	116.7002	0.384	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:2:	4:4:4:1:	4:4:3:1:	C[5,5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[6]CH)(C[6]C[6]O)(O[5]N[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	117.1355	1.709	2	117.1355	2.921	2	117.1355	2.921	2	117.1355	2.921	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	114.2760	0.000	1	114.2180	0.007	2	114.0990	0.715	4	114.0990	0.715	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	114.1600	0.000	1	114.2180	0.007	2	114.0990	0.715	4	114.0990	0.715	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	115.0000	0.000	1	115.0000	0.000	1	114.0990	0.715	4	114.0990	0.715	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	112.9600	0.000	1	112.9600	0.000	1	114.0990	0.715	4	114.0990	0.715	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	113.7625	0.532	2	113.7625	0.284	2	113.9210	0.217	3	113.9210	0.217	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	114.2380	0.000	1	114.2380	0.000	1	113.9210	0.217	3	113.9210	0.217	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:2:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	112.7820	0.000	1	112.5657	0.172	3	113.2668	2.081	4	113.2668	2.081	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	112.4575	0.524	2	112.5657	0.172	3	113.2668	2.081	4	113.2668	2.081	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	115.3700	0.000	1	115.3700	0.000	1	113.2668	2.081	4	113.2668	2.081	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	114.1385	0.688	2	114.1385	0.473	2	114.1385	0.473	2	114.1385	0.473	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	115.2660	0.000	1	115.2660	0.000	1	114.7003	0.521	9	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	115.1790	0.000	1	115.1790	0.000	1	114.7003	0.521	9	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	116.0430	0.000	1	116.0430	0.000	1	114.7003	0.521	9	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	114.5607	0.415	3	114.3025	0.173	6	114.7003	0.521	9	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	114.0443	0.244	3	114.3025	0.173	6	114.7003	0.521	9	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	114.5778	0.613	10	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	111.8240	0.000	1	111.8240	0.000	1	112.9340	2.464	2	112.9340	2.464	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:3:4:	4:4:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	114.0440	0.000	1	114.0440	0.000	1	112.9340	2.464	2	112.9340	2.464	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:2:1:1:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:4:2:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	114.5305	0.023	4	114.5305	0.001	4	114.5305	0.001	4	114.5305	0.001	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,8|H<1>}	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,3|C<4>,7|H<1>}	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:3:4:1:	3:4:3:3:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<1>,4|C<4>,8|H<1>}	116.0690	0.000	1	115.6292	0.385	4	115.6292	0.385	4	114.1108	11.817	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	115.1900	0.619	2	115.6292	0.385	4	115.6292	0.385	4	114.1108	11.817	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	116.0680	0.000	1	115.6292	0.385	4	115.6292	0.385	4	114.1108	11.817	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,4|C<4>,4|H<1>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	114.1108	11.817	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5])	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]N[5]){2|C<4>,5|H<1>}	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H){1|O<1>,4|C<4>,8|H<1>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	114.8260	0.000	1	114.8260	0.000	1	114.5000	3.917	3	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	116.2960	0.000	1	116.2960	0.000	1	114.5000	3.917	3	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(C[5]O[5]CO)(H){2|C<3>,2|C<4>,3|H<1>}	112.3780	0.000	1	112.3780	0.000	1	114.5000	3.917	3	112.7987	5.615	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	118.3125	0.381	2	118.3125	0.145	2	118.3125	0.145	2	118.3125	0.145	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:2:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:3:1:	3:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	124.0660	0.000	1	124.0660	0.000	1	124.0660	0.000	1	124.0660	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,7|H<1>}	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){4|H<1>,5|C<4>}	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	112.1585	7.964	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]C)(H){5|C<4>,6|H<1>}	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	112.1585	7.964	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:1:	4:4:4:3:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	112.4880	0.164	3	112.4880	0.027	3	112.4880	0.027	3	112.4880	0.027	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(H){1|O<2>,4|C<4>,9|H<1>}	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.3370	0.211	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	113.3370	0.211	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	111.4435	1.142	18	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	112.7910	0.385	2	112.7910	0.148	2	112.7910	0.148	2	111.4435	1.142	18	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	110.5541	0.583	8	110.5541	0.340	8	110.7265	0.417	10	111.4435	1.142	18	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	111.4160	0.424	2	111.4160	0.180	2	110.7265	0.417	10	111.4435	1.142	18	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	111.8878	0.412	5	111.8878	0.170	5	111.8878	0.170	5	111.4435	1.142	18	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	114.3435	0.294	4	114.3435	0.087	4	114.3435	0.087	4	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	111.6810	0.534	3	111.6810	0.285	3	112.1609	0.541	17	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	111.5020	0.000	1	111.5020	0.000	1	112.1609	0.541	17	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	112.2517	0.780	11	112.3154	0.602	12	112.1609	0.541	17	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	113.0160	0.000	1	112.3154	0.602	12	112.1609	0.541	17	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	112.4060	0.000	1	112.4060	0.000	1	112.1609	0.541	17	112.5767	1.217	21	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	112.8590	0.000	1	114.0215	2.703	2	114.0215	2.703	2	114.0215	2.703	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	115.1840	0.000	1	114.0215	2.703	2	114.0215	2.703	2	114.0215	2.703	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	111.2475	1.007	4	111.2475	1.015	4	111.2475	1.015	4	111.2475	1.015	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.7760	0.226	2	110.7760	0.226	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	111.1120	0.000	1	111.1120	0.000	1	110.7760	0.226	2	110.7760	0.226	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:3:3:1:	4:4:3:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	111.5735	1.658	2	111.5735	2.750	2	111.6943	1.419	3	113.0675	2.890	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	111.9360	0.000	1	111.9360	0.000	1	111.6943	1.419	3	113.0675	2.890	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	114.4580	0.000	1	114.4580	0.000	1	114.4407	0.150	3	113.0675	2.890	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	3:4:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	114.4320	0.547	2	114.4320	0.300	2	114.4407	0.150	3	113.0675	2.890	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]2)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	113.6840	7.165	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C)	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H){1|O<1>,4|C<4>,4|H<1>}	112.1645	0.691	2	112.1645	0.477	2	112.1645	0.477	2	113.6840	7.165	3	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	115.6010	0.000	1	115.9890	5.107	4	115.1955	4.607	6	115.1955	4.607	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	112.9890	0.000	1	115.9890	5.107	4	115.1955	4.607	6	115.1955	4.607	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|O<1>,2|C<4>}	117.6830	0.656	2	115.9890	5.107	4	115.1955	4.607	6	115.1955	4.607	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5]C[5,5]C[5]C)(C[6]C[6]HH)2(C[5]C[5]O){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|O<1>,2|C<4>}	113.6085	0.398	2	113.6085	0.158	2	115.1955	4.607	6	115.1955	4.607	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.7815	0.177	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.7815	0.177	2	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,9|H<1>}	118.2470	0.000	1	118.2715	0.001	2	118.2715	0.001	2	116.2797	1.820	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,9|H<1>}	118.2960	0.000	1	118.2715	0.001	2	118.2715	0.001	2	116.2797	1.820	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,1|C<4>,9|H<1>}	115.4620	0.000	1	115.4620	0.000	1	115.7106	0.727	7	116.2797	1.820	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,1|C<4>,9|H<1>}	114.8950	0.000	1	114.8950	0.000	1	115.7106	0.727	7	116.2797	1.820	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,1|C<4>,9|H<1>}	115.9234	0.923	5	115.9234	0.852	5	115.7106	0.727	7	116.2797	1.820	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	107.5670	0.000	1	107.5670	0.000	1	107.9577	0.503	4	107.9577	0.503	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	108.0880	0.808	3	108.0880	0.653	3	107.9577	0.503	4	107.9577	0.503	4	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,8|H<1>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:3:2:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,8|H<1>}	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[5]-4:	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO)	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HO){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	117.2120	0.000	1	117.2120	0.000	1	117.2120	0.000	1	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2{10|H<1>,2|C<4>}	116.9340	0.000	1	116.7850	0.044	2	116.7850	0.044	2	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2{10|H<1>,2|C<4>}	116.6360	0.000	1	116.7850	0.044	2	116.7850	0.044	2	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	117.1030	0.204	2	117.1606	0.029	5	117.1606	0.029	5	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	117.1990	0.178	3	117.1606	0.029	5	117.1606	0.029	5	117.1376	0.085	9	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){4|C<4>,5|H<1>}	115.9890	0.000	1	115.7392	0.240	5	115.7392	0.240	5	115.7392	0.240	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){1|O<2>,3|C<4>,5|H<1>}	116.1870	0.000	1	115.7392	0.240	5	115.7392	0.240	5	115.7392	0.240	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){3|C<4>,6|H<1>}	115.5120	0.731	2	115.7392	0.240	5	115.7392	0.240	5	115.7392	0.240	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){4|C<4>,5|H<1>}	115.4960	0.000	1	115.7392	0.240	5	115.7392	0.240	5	115.7392	0.240	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5])	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|I<1>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5]){3|C<4>,6|H<1>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	113.1926	13.332	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:N[5]-2:	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5])	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	111.1160	0.882	2	111.1160	0.779	2	111.1160	0.779	2	113.1926	13.332	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5]){1|O<2>,3|C<4>,5|H<1>}	117.0990	0.106	2	117.0990	0.011	2	117.0990	0.011	2	113.1926	13.332	5	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:Br-1:	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(Br)	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(Br){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.5250	0.000	1	114.5250	0.000	1	114.5250	0.000	1	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	116.9990	0.000	1	116.9990	0.000	1	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.0375	0.965	2	115.0908	0.267	29	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|N<3>,3|C<4>,5|H<1>}	115.4308	0.332	4	115.0908	0.267	29	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	115.0363	0.508	23	115.0908	0.267	29	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CC)(H){1|C<3>,2|C<4>,5|H<1>}	115.1080	0.000	1	115.1080	0.000	1	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,5|H<1>}	114.1190	0.000	1	114.3427	0.381	4	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|C<2>,3|C<4>,5|H<1>}	115.1040	0.000	1	114.3427	0.381	4	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){1|N<3>,3|C<4>,5|H<1>}	114.5030	0.000	1	114.3427	0.381	4	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(H){3|C<4>,6|H<1>}	113.6450	0.000	1	114.3427	0.381	4	115.0603	0.426	35	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	115.1590	0.000	1	115.1590	0.000	1	115.1590	0.000	1	115.0485	0.410	37	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	112.1038	4.672	5	112.1038	21.827	5	112.1038	21.827	5	115.6957	16.161	13	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6]){1|N<3>,3|C<4>,7|H<1>}	117.8715	0.285	2	117.8715	0.081	2	117.9406	0.256	8	115.6957	16.161	13	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,2|C<4>,7|H<1>}	117.9637	0.583	6	117.9637	0.340	6	117.9406	0.256	8	115.6957	16.161	13	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	116.2710	0.532	4	116.2180	0.255	6	116.2180	0.255	6	116.2180	0.255	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	115.6670	0.000	1	116.2180	0.255	6	116.2180	0.255	6	116.2180	0.255	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	116.5570	0.000	1	116.2180	0.255	6	116.2180	0.255	6	116.2180	0.255	6	114.4858	8.065	284	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:4:1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	114.8449	0.917	16	114.8449	0.841	16	114.8449	0.841	16	114.8449	0.841	16	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2{2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	112.2465	3.963	2	112.2465	15.708	2	112.2465	15.708	2	112.2465	15.708	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:3:4:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	116.1200	0.000	1	116.1200	0.000	1	116.1200	0.000	1	116.1200	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:4:4:3:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|S<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	113.4793	0.558	4	113.4793	0.311	4	113.4793	0.311	4	113.4793	0.311	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	3:4:4:4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2{2|C<4>,3|C<3>,7|H<1>}	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<6>,3|C<4>,6|H<1>}	118.1880	1.509	2	118.1880	2.277	2	117.5973	1.224	4	117.5973	1.224	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5,6]C[6]P[5])(C[6]C[6]HH)(H){1|O<2>,1|S<1>,3|C<4>,6|H<1>}	117.0065	0.019	2	117.0065	0.000	2	117.5973	1.224	4	117.5973	1.224	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6]O[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	119.3760	0.000	1	119.3760	0.000	1	119.3760	0.000	1	119.3760	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	119.4510	0.138	3	119.4510	0.019	3	119.4510	0.019	3	119.4510	0.019	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:4:2:2:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	114.2110	0.317	2	114.2110	0.100	2	114.2110	0.100	2	114.2110	0.100	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<3>,4|H<1>,5|C<4>}	111.0095	0.450	2	111.0095	0.203	2	111.0095	0.203	2	111.0095	0.203	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	117.8377	3.460	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	120.1130	0.000	1	117.5843	4.805	3	117.5843	4.805	3	117.8377	3.460	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	116.4150	0.000	1	117.5843	4.805	3	117.5843	4.805	3	117.8377	3.460	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	116.2250	0.000	1	117.5843	4.805	3	117.5843	4.805	3	117.8377	3.460	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	115.5320	0.021	2	115.5320	0.000	2	115.5320	0.000	2	113.9582	2.478	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	113.4090	0.396	2	113.4090	0.157	2	112.9090	0.828	3	113.9582	2.478	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	111.9090	0.000	1	111.9090	0.000	1	112.9090	0.828	3	113.9582	2.478	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:2:2:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	115.8345	1.681	2	115.8345	2.825	2	115.8345	2.825	2	115.8345	2.825	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	114.1857	1.563	3	114.1857	2.443	3	114.1857	2.443	3	114.1857	2.443	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	117.9910	0.000	1	118.6805	0.951	2	118.6805	0.951	2	118.6805	0.951	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	119.3700	0.000	1	118.6805	0.951	2	118.6805	0.951	2	118.6805	0.951	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	119.4672	0.709	6	119.4672	0.502	6	119.4672	0.502	6	119.4672	0.502	6	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	111.4870	0.303	2	111.4870	0.092	2	112.5700	3.564	3	112.5700	3.564	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	114.7360	0.000	1	114.7360	0.000	1	112.5700	3.564	3	112.5700	3.564	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.5500	0.000	1	115.5500	0.000	1	115.5500	0.000	1	118.0265	12.266	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	120.5030	0.000	1	120.5030	0.000	1	120.5030	0.000	1	118.0265	12.266	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	112.6165	0.059	2	112.6165	0.003	2	112.6165	0.003	2	111.2235	2.713	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	109.8305	0.610	2	109.8305	0.372	2	109.8305	0.372	2	111.2235	2.713	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	108.8710	0.850	16	108.8710	0.723	16	108.8710	0.723	16	108.8710	0.723	16	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	120.1530	0.000	1	120.1530	0.000	1	117.9005	10.148	2	117.9005	10.148	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	115.6480	0.000	1	115.6480	0.000	1	117.9005	10.148	2	117.9005	10.148	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	111.5095	1.138	4	111.5095	1.295	4	111.5095	1.295	4	111.5095	1.295	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	117.5597	11.617	6	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	118.1093	0.787	4	118.1093	0.620	4	118.8052	2.887	5	117.5597	11.617	6	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	121.5890	0.000	1	121.5890	0.000	1	118.8052	2.887	5	117.5597	11.617	6	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H){4|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	106.3420	0.000	1	106.3420	0.000	1	106.3420	0.000	1	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	112.2883	1.097	3	112.2883	1.203	3	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	112.2790	0.000	1	112.2790	0.000	1	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	109.7820	0.000	1	112.5073	5.613	3	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	113.8700	0.290	2	112.5073	5.613	3	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	117.9395	0.800	2	117.9395	0.640	2	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	123.0240	0.000	1	123.0240	0.000	1	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	114.5380	0.000	1	114.5380	0.000	1	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	112.1730	0.779	3	112.1730	0.606	3	114.0447	12.051	14	113.5124	13.927	17	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	120.6213	0.094	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	120.4480	0.085	2	120.4480	0.007	2	120.4480	0.007	2	120.6213	0.094	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	118.7320	3.561	2	118.7320	12.681	2	118.7320	12.681	2	118.7320	12.681	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	124.8420	0.000	1	125.2193	0.107	4	125.2193	0.107	4	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	125.3450	0.256	3	125.2193	0.107	4	125.2193	0.107	4	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	123.3024	6.486	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	113.8803	1.381	3	113.8803	1.906	3	113.8803	1.906	3	113.8803	1.906	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	120.2660	0.386	2	120.2660	0.149	2	120.2660	0.149	2	120.2660	0.149	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:2:3:4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	114.6290	0.000	1	114.6290	0.000	1	113.8265	1.288	2	113.8265	1.288	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.0240	0.000	1	113.0240	0.000	1	113.8265	1.288	2	113.8265	1.288	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	114.7650	0.000	1	114.7650	0.000	1	120.0152	14.475	5	120.0152	14.475	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	119.2780	0.000	1	119.2780	0.000	1	120.0152	14.475	5	120.0152	14.475	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	121.4600	0.000	1	121.4600	0.000	1	120.0152	14.475	5	120.0152	14.475	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	125.2350	0.000	1	125.2350	0.000	1	120.0152	14.475	5	120.0152	14.475	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	119.3380	0.000	1	119.3380	0.000	1	120.0152	14.475	5	120.0152	14.475	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	121.6470	0.000	1	121.4220	0.101	2	121.4220	0.101	2	121.4220	0.101	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	121.1970	0.000	1	121.4220	0.101	2	121.4220	0.101	2	121.4220	0.101	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	111.3765	1.029	2	111.3765	1.059	2	111.3765	1.059	2	111.3765	1.059	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	113.1330	0.000	2	113.1330	0.000	2	113.1330	0.000	2	113.1330	0.000	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5]){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,7|H<1>}	113.5630	6.276	2	113.5630	39.392	2	113.5630	39.392	2	113.5630	39.392	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	111.1940	0.317	3	111.1940	0.101	3	112.3438	5.355	4	112.8944	3.160	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	115.7930	0.000	1	115.7930	0.000	1	112.3438	5.355	4	112.8944	3.160	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	113.4450	1.100	4	113.4450	1.210	4	113.4450	1.210	4	112.8944	3.160	8	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	113.3500	1.978	2	113.5345	3.932	4	113.5345	3.932	4	113.5345	3.932	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<4>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	113.7190	2.783	2	113.5345	3.932	4	113.5345	3.932	4	113.5345	3.932	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6]O)(H)2{3|H<1>,6|C<4>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	114.1560	0.000	2	114.1560	0.000	2	114.1560	0.000	2	114.1560	0.000	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6])	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6]){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	116.6050	2.489	2	116.6050	6.195	2	116.6050	6.195	2	116.6050	6.195	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	3:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:2:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	112.0700	1.130	2	112.0700	1.277	2	112.0700	1.277	2	112.0700	1.277	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	111.7945	0.576	2	111.7945	0.332	2	111.7945	0.332	2	111.7945	0.332	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	111.3917	4.842	3	111.3917	23.448	3	111.3917	23.448	3	111.3917	23.448	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	111.6205	0.484	4	111.6205	0.234	4	111.6205	0.234	4	111.6205	0.234	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6])	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6]){4|C<4>,8|H<1>}	112.7260	0.000	1	112.7260	0.000	1	113.0337	0.186	3	113.0337	0.186	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<2>,3|C<4>,8|H<1>}	113.5270	0.000	1	113.1875	0.231	2	113.0337	0.186	3	113.0337	0.186	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<4>,3|C<4>,8|H<1>}	112.8480	0.000	1	113.1875	0.231	2	113.0337	0.186	3	113.0337	0.186	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	112.5538	2.548	4	112.5538	6.491	4	112.5538	6.491	4	112.5538	6.491	4	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:Si[6]-3:H-1:	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H){1|N<3>,2|C<3>,6|H<1>,7|C<4>}	111.6295	3.747	2	111.6295	14.040	2	111.6295	14.040	2	111.6295	14.040	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	111.7870	0.386	2	111.7870	0.149	2	111.7870	0.149	2	111.7870	0.149	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	118.1615	0.371	2	118.1615	0.138	2	118.1615	0.138	2	118.1615	0.138	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	117.9625	0.131	2	117.9625	0.017	2	117.9307	0.012	3	117.9307	0.012	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	117.8670	0.000	1	117.8670	0.000	1	117.9307	0.012	3	117.9307	0.012	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	116.5315	2.997	2	116.5315	8.985	2	116.5315	8.985	2	116.3417	4.600	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	116.3417	4.600	3	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	114.8090	0.000	1	114.8090	0.000	1	114.8980	0.016	2	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	114.9870	0.000	1	114.9870	0.000	1	114.8980	0.016	2	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	117.1410	0.000	1	117.1410	0.000	1	115.8837	1.072	9	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	117.5320	0.000	1	117.5320	0.000	1	115.8837	1.072	9	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	115.3087	0.632	6	115.3087	0.399	6	115.8837	1.072	9	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	116.4280	0.000	1	116.4280	0.000	1	115.8837	1.072	9	115.6911	0.928	12	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	115.2265	0.061	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	115.0520	0.000	1	115.0520	0.000	1	115.0520	0.000	1	115.2265	0.061	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	108.9370	2.240	2	108.9370	5.018	2	108.9370	5.018	2	108.9370	5.018	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	116.6770	0.000	1	116.1252	0.140	4	116.1252	0.140	4	116.0716	0.119	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	115.9413	0.083	3	116.1252	0.140	4	116.1252	0.140	4	116.0716	0.119	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	116.0716	0.119	5	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	114.6725	0.541	2	114.6725	0.293	2	114.6725	0.293	2	114.6725	0.293	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	120.7400	0.027	2	120.7400	0.001	2	120.7400	0.001	2	120.7400	0.001	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	110.3155	0.465	2	110.3155	0.216	2	110.3155	0.216	2	110.3155	0.216	2	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	114.8894	15.128	261	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:3:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	112.9580	0.109	2	112.9580	0.012	2	112.9580	0.012	2	112.9580	0.012	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:3:4:4:	4:4:1:1:	4:4:3:1:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:2:1:1:	4:2:4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:2:4:4:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	114.0805	0.740	13	114.0805	0.547	13	114.0805	0.547	13	113.9621	0.701	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	113.9621	0.701	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:2:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:2:1:	4:4:4:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:4:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	113.8700	0.185	2	113.8700	0.034	2	113.5637	0.299	3	113.5637	0.299	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:4:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.9510	0.000	1	112.9510	0.000	1	113.5637	0.299	3	113.5637	0.299	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:3:4:4:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	3:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	111.4410	0.035	2	113.4110	5.182	4	112.5795	2.018	11	113.2322	1.219	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	115.3810	0.148	2	113.4110	5.182	4	112.5795	2.018	11	113.2322	1.219	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	112.1044	0.221	7	112.1044	0.049	7	112.5795	2.018	11	113.2322	1.219	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	113.7402	0.526	13	113.6809	0.240	16	113.6809	0.240	16	113.2322	1.219	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	113.4240	0.136	3	113.6809	0.240	16	113.6809	0.240	16	113.2322	1.219	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:4:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	113.4885	0.374	2	113.4885	0.140	2	114.3320	1.820	4	114.3320	1.820	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:4:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	115.1755	1.573	2	115.1755	2.475	2	114.3320	1.820	4	114.3320	1.820	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:2:4:4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,3|C<4>}	116.8295	0.394	2	116.8295	0.155	2	116.8295	0.155	2	116.8295	0.155	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:3:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	112.6510	0.397	2	112.6510	0.158	2	112.6510	0.158	2	112.6510	0.158	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	113.5632	3.138	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,5,6]CC)(H)2{2|H<1>,3|C<4>}	114.6110	0.000	1	114.6110	0.000	1	114.2613	0.935	4	113.5632	3.138	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{2|C<4>,3|H<1>}	113.0320	0.000	1	113.0320	0.000	1	114.2613	0.935	4	113.5632	3.138	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	114.0740	0.000	1	114.0740	0.000	1	114.2613	0.935	4	113.5632	3.138	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	115.3280	0.000	1	115.3280	0.000	1	114.2613	0.935	4	113.5632	3.138	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:1:1:	4:4:4:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	116.4860	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	112.3810	0.000	1	112.6845	0.184	2	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	112.9880	0.000	1	112.6845	0.184	2	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	114.3355	0.286	2	113.2415	0.912	8	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	113.0460	0.163	2	113.2415	0.912	8	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	111.8760	0.000	1	113.2415	0.912	8	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	113.0977	0.969	3	113.2415	0.912	8	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	112.6520	0.000	1	112.9827	0.319	3	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	113.6350	0.000	1	112.9827	0.319	3	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	112.6610	0.000	1	112.9827	0.319	3	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	114.1760	0.000	1	114.1760	0.000	1	113.1732	0.680	14	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(S[5]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	113.3124	0.922	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:4:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:1:	4:4:4:2:	4:4:2:1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:2:	4:3:4:4:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HO)(H)2{1|C<3>,1|N<3>,3|C<4>}	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:2:	4:4:1:1:	4:4:4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	113.5210	0.000	1	113.5210	0.000	1	115.2263	2.182	3	115.2263	2.182	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:2:	4:4:1:1:	4:4:4:1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	116.0790	0.037	2	116.0790	0.001	2	115.2263	2.182	3	115.2263	2.182	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:2:	4:4:1:1:	4:4:4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	117.2340	0.000	1	116.7627	0.204	3	116.7627	0.204	3	116.7627	0.204	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:2:	4:4:1:1:	4:4:4:4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	116.5270	0.274	2	116.7627	0.204	3	116.7627	0.204	3	116.7627	0.204	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:3:	4:4:3:2:	4:2:3:1:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|C<3>,1|O<2>,3|C<4>}	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	113.2595	1.410	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:1:1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	113.2595	1.410	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:2:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	109.3233	1.646	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:2:1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	108.5830	0.057	2	108.5830	0.003	2	108.5830	0.003	2	109.3233	1.646	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:1:1:	4:4:4:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	114.6595	0.924	2	114.6595	0.854	2	114.6595	0.854	2	114.6595	0.854	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:2:1:	4:2:1:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:2:1:	4:4:1:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]O[5,6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	2:4:4:4:	4:4:4:1:	4:4:2:1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	112.2520	0.840	2	112.2520	0.706	2	112.2520	0.706	2	112.2520	0.706	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2{2|H<1>,5|C<3>}	110.8675	0.071	2	110.8675	0.005	2	110.8675	0.005	2	110.8675	0.005	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	110.9600	0.245	2	110.9600	0.060	2	110.9600	0.060	2	110.9600	0.060	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	110.3860	0.341	2	110.3860	0.116	2	110.3860	0.116	2	110.3860	0.116	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5,5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	112.8520	0.248	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	112.8520	0.248	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:4:3:1:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:2:4:	4:2:1:1:	4:4:1:1:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:2:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:1:1:	4:3:3:1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.8265	0.435	2	113.8265	0.189	2	113.8265	0.189	2	113.8265	0.189	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:2:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	116.5965	0.493	2	116.2807	0.421	3	116.2807	0.421	3	116.2807	0.421	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:2:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	115.6490	0.000	1	116.2807	0.421	3	116.2807	0.421	3	116.2807	0.421	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:3:4:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:2:1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.3150	0.000	1	112.3150	0.000	1	112.3150	0.000	1	112.3150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:4:4:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.9260	0.000	1	114.7935	0.487	4	115.4370	1.231	8	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.7493	0.847	3	114.7935	0.487	4	115.4370	1.231	8	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<4>,4|H<1>}	116.0805	1.132	4	116.0805	1.282	4	115.4370	1.231	8	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|S<4>,2|C<4>,8|H<1>}	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	116.5420	0.000	1	116.5420	0.000	1	114.2323	4.146	3	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	113.0775	0.540	2	113.0775	0.291	2	114.2323	4.146	3	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	115.0130	0.000	1	115.0130	0.000	1	115.0130	0.000	1	115.5623	3.291	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	115.3160	0.433	2	115.3160	0.187	2	115.3160	0.187	2	115.3160	0.187	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:4:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	4:4:4:4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|B<4>,1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	117.3515	0.839	2	117.3515	0.704	2	117.3515	0.704	2	117.3515	0.704	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.5545	0.618	4	115.5545	0.382	4	115.3936	0.416	5	115.3936	0.416	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	114.7500	0.000	1	114.7500	0.000	1	115.3936	0.416	5	115.3936	0.416	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:4:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	117.5770	0.788	2	117.5770	0.620	2	117.7223	0.374	3	117.7223	0.374	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	118.0130	0.000	1	118.0130	0.000	1	117.7223	0.374	3	117.7223	0.374	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	3:4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,3|C<3>,3|H<1>}	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:2:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	116.0036	3.567	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:2:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	115.4441	0.460	8	115.4441	0.211	8	115.4207	0.190	9	116.0036	3.567	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:2:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	115.2330	0.000	1	115.2330	0.000	1	115.4207	0.190	9	116.0036	3.567	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	114.9965	0.299	2	114.9965	0.089	2	114.6947	0.318	3	114.6947	0.318	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.0910	0.000	1	114.0910	0.000	1	114.6947	0.318	3	114.6947	0.318	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	114.1002	12.588	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	114.1002	12.588	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.9685	0.192	2	110.9685	0.037	2	114.4865	16.846	4	114.1002	12.588	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	118.7100	0.000	1	118.7100	0.000	1	114.4865	16.846	4	114.1002	12.588	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	117.2990	0.000	1	117.2990	0.000	1	114.4865	16.846	4	114.1002	12.588	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:4:1:	4:2:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:4:4:	3:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.1383	1.124	6	118.1383	1.264	6	118.1383	1.264	6	118.1383	1.264	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:2:4:4:	3:4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:2:1:1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	115.6080	0.000	1	115.6080	0.000	1	115.4005	1.672	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	114.1330	0.000	1	114.1330	0.000	1	115.4005	1.672	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	115.9305	1.675	2	115.9305	2.806	2	115.4005	1.672	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.5990	0.000	1	115.5990	0.000	1	115.6312	0.158	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	115.5260	0.000	1	115.5260	0.000	1	115.6312	0.158	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.1760	0.000	1	116.1760	0.000	1	115.6312	0.158	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	115.2240	0.000	1	115.2240	0.000	1	115.6312	0.158	4	115.7263	1.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]B[6]HH)(H){2|Si<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	115.9635	0.018	2	115.9635	0.000	2	115.9635	0.000	2	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	115.5230	0.000	1	115.5230	0.000	1	115.5230	0.000	1	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:F-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.8970	0.000	1	111.1301	0.361	10	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.2373	0.105	4	111.1301	0.361	10	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	110.8910	0.757	5	111.1301	0.361	10	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	116.0973	0.922	3	116.3294	2.453	5	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	116.6775	2.777	2	116.3294	2.453	5	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	117.3910	0.313	2	117.3910	0.098	2	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	115.4440	0.000	1	115.4440	0.000	1	113.5097	8.436	18	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	113.8997	7.859	25	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H)	C[5,6](C[5,6]N[6]O[5])(C[5]C[5]HN)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(NCH)(H){1|C<3>,1|N<2>,2|H<1>}	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:2:1:	4:3:3:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	118.2876	0.945	7	118.2876	0.894	7	118.2876	0.894	7	118.2876	0.894	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:2:2:	4:3:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	111.4686	2.486	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:4:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.9360	0.440	2	110.9360	0.193	2	110.9480	0.370	7	111.4686	2.486	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:3:4:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	110.9528	0.712	5	110.9528	0.507	5	110.9480	0.370	7	111.4686	2.486	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	118.0200	0.000	1	118.6495	0.793	2	118.6495	0.793	2	118.6495	0.793	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.2790	0.000	1	118.6495	0.793	2	118.6495	0.793	2	118.6495	0.793	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	118.4840	0.006	2	118.4840	0.000	2	118.4840	0.000	2	118.4840	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	118.8547	0.379	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	118.6110	0.000	1	118.5045	0.023	2	118.5045	0.023	2	118.8547	0.379	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	118.3980	0.000	1	118.5045	0.023	2	118.5045	0.023	2	118.8547	0.379	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	116.6610	0.731	2	116.6610	0.535	2	117.1465	0.610	4	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	118.0510	0.000	1	118.0510	0.000	1	117.1465	0.610	4	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	117.2130	0.000	1	117.2130	0.000	1	117.1465	0.610	4	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	114.7840	0.308	2	114.7840	0.095	2	114.7840	0.095	2	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>}	117.1560	0.000	1	117.1560	0.000	1	115.8810	3.251	2	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	114.6060	0.000	1	114.6060	0.000	1	115.8810	3.251	2	116.2395	1.851	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:2:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	113.9800	0.000	1	113.9800	0.000	1	114.2507	0.056	3	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|H<1>,3|C<4>}	114.3860	0.054	2	114.3860	0.003	2	114.2507	0.056	3	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	117.3180	0.000	1	117.3180	0.000	1	116.9002	0.562	9	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.7910	0.000	1	116.2450	0.155	3	116.9002	0.562	9	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,3|H<1>}	116.4720	0.000	2	116.2450	0.155	3	116.9002	0.562	9	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	116.9035	0.352	4	116.9035	0.124	4	116.9002	0.562	9	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	118.4350	0.000	1	118.4350	0.000	1	116.9002	0.562	9	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	119.9135	5.505	4	119.9135	30.309	4	118.9096	27.771	5	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	114.8940	0.000	1	114.8940	0.000	1	118.9096	27.771	5	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	115.6950	0.000	1	115.6950	0.000	1	115.6950	0.000	1	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	119.6610	0.000	1	119.6610	0.000	1	119.1155	0.595	2	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	118.5700	0.000	1	118.5700	0.000	1	119.1155	0.595	2	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{2|H<1>,3|C<4>}	120.6900	0.000	1	121.1480	0.175	3	121.1480	0.175	3	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	121.3770	0.190	2	121.1480	0.175	3	121.1480	0.175	3	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	112.2840	0.000	3	111.0593	0.990	9	112.1832	8.397	12	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	110.4470	0.484	6	111.0593	0.990	9	112.1832	8.397	12	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	115.6750	0.000	1	115.6750	0.000	1	112.1832	8.397	12	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,3|H<1>}	111.0810	0.000	1	115.4945	38.958	2	112.1832	8.397	12	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<4>}	119.9080	0.000	1	115.4945	38.958	2	112.1832	8.397	12	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]H)(H)2{1|N<3>,2|C<4>,2|H<1>}	117.6830	0.000	1	117.6830	0.000	1	116.4683	1.967	6	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	118.5020	0.000	1	116.3730	2.542	4	116.4683	1.967	6	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Ir<6>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	115.5625	1.234	2	116.3730	2.542	4	116.4683	1.967	6	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Rh<6>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	115.8650	0.000	1	116.3730	2.542	4	116.4683	1.967	6	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2	C[5,6](N[5,6]C[6]S[5])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]S[5]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	115.6350	0.000	1	115.6350	0.000	1	116.4683	1.967	6	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2{2|C<4>,3|C<3>,8|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	118.8840	0.000	1	118.8840	0.000	1	118.8840	0.000	1	115.9682	13.685	42	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	118.7480	0.468	2	118.7480	0.219	2	118.7480	0.219	2	119.4913	1.767	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	119.4913	1.767	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:C-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN){1|Si<4>,2|C<4>,2|H<1>}	116.2375	0.648	2	116.2375	0.420	2	116.2375	0.420	2	116.8877	1.478	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	118.1880	0.000	1	118.1880	0.000	1	118.1880	0.000	1	116.8877	1.478	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	115.5350	0.000	1	115.5350	0.000	1	115.5350	0.000	1	116.1990	0.882	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.1990	0.882	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	119.3360	0.130	2	119.3360	0.017	2	119.0890	0.191	3	119.5553	0.997	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2{2|C<4>,2|H<1>}	118.5950	0.000	1	118.5950	0.000	1	119.0890	0.191	3	119.5553	0.997	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	C[5,6](N[5,6]N[5]S[6])(C[6]C[6,6]HH)(C[5]C[5]CC)(H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,1|S<4>,2|C<4>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	119.5553	0.997	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5a,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:B[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]2C[5])(H)2{1|B<4>,3|H<1>,6|C<3>}	111.4420	0.000	1	111.4420	0.000	1	111.4420	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	114.3540	0.000	1	114.6485	0.173	2	115.2612	0.565	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	114.9430	0.000	1	114.6485	0.173	2	115.2612	0.565	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	115.9720	0.000	1	115.9720	0.000	1	115.2612	0.565	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|H<1>,3|C<4>}	115.7760	0.000	1	115.7760	0.000	1	115.2612	0.565	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	112.7760	0.000	2	112.4390	0.341	3	112.4390	0.341	3	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	111.7650	0.000	1	112.4390	0.341	3	112.4390	0.341	3	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	113.7130	0.000	1	113.7130	0.000	1	115.1680	4.234	2	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	116.6230	0.000	1	116.6230	0.000	1	115.1680	4.234	2	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2O[5])(H)2{1|O<1>,2|H<1>,6|C<4>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.4960	0.000	1	111.4960	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	113.5925	0.336	2	112.8426	0.474	10	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	111.7635	0.392	2	112.8426	0.474	10	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	112.9523	0.309	6	112.8426	0.474	10	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,3|H<1>}	113.0455	1.040	2	113.0455	1.082	2	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.8050	0.068	2	112.8050	0.005	2	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	114.5090	0.000	1	114.5090	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	118.2120	0.000	1	118.2120	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	115.6770	0.000	1	115.6770	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	112.5550	0.000	1	112.5550	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.9020	0.000	1	114.9020	0.000	1	113.3739	2.399	20	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	118.1543	0.557	4	118.1543	0.311	4	118.1543	0.311	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]AlC)(H)2{1|C<3>,2|C<4>,3|H<1>}	118.0525	0.162	2	118.0525	0.026	2	118.0525	0.026	2	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,2|H<1>,3|C<4>}	114.2560	0.000	1	114.2560	0.000	1	119.7306	4.957	10	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	120.7377	0.916	7	120.7377	0.838	7	119.7306	4.957	10	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HN)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<4>}	119.7400	0.000	1	119.7400	0.000	1	119.7306	4.957	10	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]N[5]H)(H)2{1|H<1>,1|I<1>,1|O<1>,2|C<3>,2|C<4>}	118.1460	0.000	1	118.1460	0.000	1	119.7306	4.957	10	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	113.6585	1.551	2	113.6585	2.405	2	113.6585	2.405	2	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.3780	0.140	2	112.3780	0.020	2	112.3780	0.020	2	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.5810	0.000	1	112.5810	0.000	1	115.9180	5.566	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(H)2{2|C<4>,2|H<1>}	116.7200	0.000	1	116.7200	0.000	1	115.9180	5.566	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	118.1090	0.000	1	117.1855	1.706	2	115.9180	5.566	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	116.2620	0.000	1	117.1855	1.706	2	115.9180	5.566	4	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	119.5880	0.000	1	119.5880	0.000	1	119.5880	0.000	1	115.5414	9.250	63	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	112.0300	0.000	1	112.0300	0.000	1	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	111.3070	1.078	2	111.3070	1.161	2	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	117.7250	0.000	1	117.7250	0.000	1	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	119.4300	0.000	1	119.4300	0.000	1	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	118.7470	0.000	1	118.3705	0.284	2	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	117.9940	0.000	1	118.3705	0.284	2	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	117.5760	0.000	1	117.5760	0.000	1	115.7645	12.753	8	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	117.9065	0.139	2	117.9065	0.019	2	117.9065	0.019	2	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	116.1593	9.676	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){2|C<4>,2|H<1>}	119.6650	0.000	1	119.6650	0.000	1	119.6650	0.000	1	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	115.7062	0.774	4	115.7062	0.600	4	115.7092	0.450	5	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	115.7210	0.000	1	115.7210	0.000	1	115.7092	0.450	5	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	117.0641	3.791	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	118.2260	0.000	1	119.2940	2.281	2	119.2940	2.281	2	119.2940	2.281	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	120.3620	0.000	1	119.2940	2.281	2	119.2940	2.281	2	119.2940	2.281	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]CC)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){1|C<3>,3|C<4>,3|H<1>}	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	118.1060	1.542	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:4:3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	118.1060	1.542	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:4:4:4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	3:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.1570	0.000	1	114.1570	0.000	1	114.7148	0.766	5	114.7148	0.766	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.4410	0.000	1	114.4410	0.000	1	114.7148	0.766	5	114.7148	0.766	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.8540	0.000	1	114.9920	1.223	3	114.7148	0.766	5	114.7148	0.766	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.5610	0.710	2	114.9920	1.223	3	114.7148	0.766	5	114.7148	0.766	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(H)2{1|C<4>,1|H<1>,2|O<2>}	112.8680	0.000	3	112.8680	0.000	3	112.8680	0.000	3	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.3260	0.000	1	112.3260	0.000	1	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.2930	0.000	1	116.2930	0.000	1	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.9270	0.000	1	116.9270	0.000	1	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.7100	0.000	1	117.5545	6.804	2	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	119.3990	0.000	1	117.5545	6.804	2	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.4755	1.344	2	115.4755	1.807	2	115.9437	4.736	7	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	117.1610	0.000	1	117.1610	0.000	1	116.9290	0.108	2	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	116.6970	0.000	1	116.6970	0.000	1	116.9290	0.108	2	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.8730	0.000	1	115.8730	0.000	1	115.2277	0.312	3	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.9050	0.008	2	114.9050	0.000	2	115.2277	0.312	3	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.2927	0.732	3	116.2927	0.536	3	116.2927	0.536	3	115.4794	3.445	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.3190	0.000	1	118.3190	0.000	1	118.0310	0.166	2	118.0310	0.166	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:2:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	117.7430	0.000	1	117.7430	0.000	1	118.0310	0.166	2	118.0310	0.166	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	118.9600	0.034	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:2:1:	4:4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	118.9600	0.034	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	3:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	114.0800	0.000	1	114.0800	0.000	1	114.0800	0.000	1	114.0800	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:2:1:1:	O[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6]Pt)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H){1|C<4>,1|O<2>,1|O<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:2:4:1:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[5]N[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	119.7097	0.350	4	119.7097	0.123	4	119.7097	0.123	4	119.7097	0.123	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	117.1233	1.101	3	117.1233	1.212	3	117.1233	1.212	3	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	115.8860	0.000	1	113.7917	3.301	3	115.2800	11.061	4	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.7445	0.148	2	113.7917	3.301	3	115.2800	11.061	4	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	119.7450	0.000	1	119.7450	0.000	1	115.2800	11.061	4	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	118.3822	0.608	5	118.3822	0.370	5	118.3822	0.370	5	117.0945	4.658	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	116.6870	0.000	1	116.6870	0.000	1	116.6870	0.000	1	116.6870	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:3:4:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|C<4>}	118.4730	0.000	1	118.4730	0.000	1	118.4730	0.000	1	118.4730	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	111.6794	1.542	5	111.6794	2.377	5	112.5110	6.051	6	113.5536	8.121	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	116.6690	0.000	1	116.6690	0.000	1	112.5110	6.051	6	113.5536	8.121	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	113.5536	8.121	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:3:1:1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]N[5]HH)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]N[5,6,6]C[6]H)(N[5]C[5,6]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	113.5536	8.121	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	113.4625	0.182	2	113.4625	0.033	2	113.4625	0.033	2	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	116.4600	0.000	2	117.0493	1.042	3	117.0493	1.042	3	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|I<1>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	118.2280	0.000	1	117.0493	1.042	3	117.0493	1.042	3	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,4|C<4>}	113.6600	0.055	2	113.6600	0.003	2	113.6600	0.003	2	115.5479	7.604	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:2:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)2{1|O<1>,1|O<2>,4|C<4>}	112.6527	0.040	3	112.6527	0.002	3	112.6527	0.002	3	112.6527	0.002	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:3:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	116.3483	0.585	3	116.3483	0.342	3	116.3483	0.342	3	116.3483	0.342	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	3:4:4:4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{3|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	4:2:2:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	4:4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	121.4970	0.000	1	121.4970	0.000	1	122.9825	4.413	2	122.9825	4.413	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	4:4:4:1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	124.4680	0.000	1	124.4680	0.000	1	122.9825	4.413	2	122.9825	4.413	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	4:4:4:4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	125.1710	0.000	1	125.1710	0.000	1	125.1710	0.000	1	125.1710	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.3080	0.000	1	116.9833	0.287	3	116.9833	0.287	3	116.9833	0.287	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	116.8210	0.645	2	116.9833	0.287	3	116.9833	0.287	3	116.9833	0.287	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	108.9610	0.000	1	108.8795	0.013	2	108.8795	0.013	2	110.7590	5.439	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	108.7980	0.000	1	108.8795	0.013	2	108.8795	0.013	2	110.7590	5.439	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.1180	3.147	2	112.1180	9.901	2	112.0120	4.984	3	110.7590	5.439	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:2:1:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.8000	0.000	1	111.8000	0.000	1	112.0120	4.984	3	110.7590	5.439	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:3:1:1:	4:2:2:1:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:3:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:3:2:2:	C[5,6a]-3:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	115.7530	0.000	1	115.7530	0.000	1	115.7530	0.000	1	115.7530	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	116.3228	3.150	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	117.7800	0.229	2	117.7800	0.052	2	117.7800	0.052	2	116.3228	3.150	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	116.3228	3.150	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	116.3228	3.150	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	116.3228	3.150	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:Br-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	113.6395	0.075	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]HH)(O[5]C[5]){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	113.5997	0.321	3	113.5997	0.103	3	113.5997	0.103	3	113.6395	0.075	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:2:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.9410	0.000	1	111.9410	0.000	1	113.5585	5.233	2	113.5585	5.233	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:2:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	115.1760	0.000	1	115.1760	0.000	1	113.5585	5.233	2	113.5585	5.233	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:4:1:	4:3:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:2:	4:4:4:1:	4:4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	117.6195	0.006	2	117.6195	0.000	2	117.6195	0.000	2	117.6195	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:2:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]N)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	118.6190	0.000	1	118.6330	0.000	2	118.6330	0.000	2	118.6330	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	118.6470	0.000	1	118.6330	0.000	2	118.6330	0.000	2	118.6330	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:3:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:1:1:	4:4:1:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:2:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	110.3245	0.139	2	110.3245	0.019	2	110.3245	0.019	2	110.3245	0.019	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:3:4:2:	4:3:4:1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	116.9000	0.287	2	116.9000	0.082	2	116.9000	0.082	2	116.9000	0.082	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	115.4348	4.705	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.6845	0.753	2	115.6845	0.567	2	115.6845	0.567	2	115.4348	4.705	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	113.9550	0.000	1	113.5500	0.328	2	113.5500	0.328	2	115.4348	4.705	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	113.1450	0.000	1	113.5500	0.328	2	113.5500	0.328	2	115.4348	4.705	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:3:4:4:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,5|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5,3x6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.9690	0.362	2	111.9690	0.131	2	111.9690	0.131	2	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	108.9597	1.247	3	108.9597	1.555	3	108.9597	1.555	3	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.1860	0.000	1	112.1860	0.000	1	113.8655	5.641	2	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	115.5450	0.000	1	115.5450	0.000	1	113.8655	5.641	2	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	111.9712	7.455	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	112.9490	0.000	1	112.9490	0.000	1	112.4940	0.414	2	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	112.0390	0.000	1	112.0390	0.000	1	112.4940	0.414	2	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	116.6800	0.000	1	116.6800	0.000	1	116.6453	0.250	4	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	116.9680	0.000	1	116.6337	0.375	3	116.6453	0.250	4	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	115.9270	0.000	1	116.6337	0.375	3	116.6453	0.250	4	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	117.0060	0.000	1	116.6337	0.375	3	116.6453	0.250	4	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	114.5315	0.122	2	114.5315	0.015	2	114.5315	0.015	2	115.0790	3.565	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.2813	0.979	3	110.3148	0.643	4	110.3148	0.643	4	110.9752	2.664	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.4150	0.000	1	110.3148	0.643	4	110.3148	0.643	4	110.9752	2.664	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:1:	4:4:1:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	113.6170	0.000	1	113.6170	0.000	1	113.6170	0.000	1	110.9752	2.664	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:3:	4:4:4:4:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:2:1:1:	4:2:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO){1|C<3>,1|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	113.4105	0.484	2	113.4105	0.235	2	113.4105	0.235	2	113.4105	0.235	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:2:2:1:	4:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:2:3:1:	4:4:1:1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:S[6]-2:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	111.8280	0.467	2	111.8280	0.218	2	111.8280	0.218	2	111.8280	0.218	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{2|H<1>,3|C<3>}	116.7230	0.229	2	116.7230	0.052	2	116.7230	0.052	2	115.0537	8.386	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	115.0537	8.386	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:3:2:1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5]C[6,6]C[6])(C[5]C[5,5]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	114.3740	0.000	1	112.8360	4.731	2	112.8360	4.731	2	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	111.2980	0.000	1	112.8360	4.731	2	112.8360	4.731	2	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH){1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,6|H<1>}	110.7565	1.300	2	110.7565	1.691	2	110.7565	1.691	2	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	111.4240	0.000	3	111.4240	0.000	3	111.7198	0.350	4	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	112.6070	0.000	1	112.6070	0.000	1	111.7198	0.350	4	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.3625	0.517	2	111.3625	0.267	2	111.3625	0.267	2	111.5380	1.775	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:3:3:4:	4:3:4:1:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-3:C-4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO){1|H<1>,6|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	115.4055	0.530	2	115.4055	0.281	2	115.4680	0.158	5	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	115.3980	0.000	1	115.3980	0.000	1	115.4680	0.158	5	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	115.9650	0.000	1	115.9650	0.000	1	115.4680	0.158	5	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	115.1660	0.000	1	115.1660	0.000	1	115.4680	0.158	5	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,4|H<1>}	110.7440	0.000	1	110.7440	0.000	1	111.7395	1.982	2	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,4|H<1>}	112.7350	0.000	1	112.7350	0.000	1	111.7395	1.982	2	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,3|C<4>,3|H<1>}	109.3260	0.571	2	109.3260	0.326	2	111.2868	2.889	6	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]HH)2{1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,4|H<1>}	112.2673	0.928	4	112.2673	0.861	4	111.2868	2.889	6	113.1540	5.755	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:2:2:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	116.0275	0.336	2	114.7090	2.375	4	114.8942	1.953	5	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	113.3905	0.244	2	114.7090	2.375	4	114.8942	1.953	5	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.6350	0.000	1	115.6350	0.000	1	114.8942	1.953	5	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3,6]C[3]2C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	113.3520	0.841	2	113.3520	0.708	2	113.3520	0.708	2	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	112.2465	0.289	2	112.2465	0.084	2	112.2465	0.084	2	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	111.7820	0.000	2	111.7820	0.000	2	111.7820	0.000	2	113.3737	2.934	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	111.6340	3.415	2	111.6340	11.664	2	111.6340	11.664	2	111.6340	11.664	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.2980	0.014	2	112.2980	0.000	2	112.2980	0.000	2	113.4213	3.786	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	113.4213	3.786	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:O-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC){2|C<4>,3|H<1>}	117.2120	0.079	2	117.2120	0.006	2	117.2120	0.006	2	117.2120	0.006	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	117.4330	0.000	1	117.4330	0.000	1	116.2550	2.775	2	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	115.0770	0.000	1	115.0770	0.000	1	116.2550	2.775	2	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.4380	0.000	1	111.4380	0.000	1	113.0305	0.531	8	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.2145	0.347	2	113.2145	0.121	2	113.0305	0.531	8	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.3293	0.459	4	113.3293	0.211	4	113.0305	0.531	8	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.0600	0.000	1	113.0600	0.000	1	113.0305	0.531	8	113.6542	2.318	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	113.9700	0.228	2	113.9700	0.052	2	113.4532	2.099	5	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	112.4730	0.000	1	112.4730	0.000	1	113.4532	2.099	5	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	111.5760	0.000	1	111.5760	0.000	1	113.4532	2.099	5	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[3]O[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.2770	0.000	1	115.2770	0.000	1	113.4532	2.099	5	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.6945	1.425	2	111.6945	2.030	2	111.6945	2.030	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	111.9575	2.126	2	111.9575	4.521	2	111.9575	4.521	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.6560	0.117	2	111.6560	0.014	2	111.6560	0.014	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,8|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<6>,1|C<3>,2|C<4>,4|H<1>}	111.7515	1.640	2	111.7515	2.689	2	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	111.6930	1.246	2	111.6930	1.552	2	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	108.2310	0.000	1	108.2310	0.000	1	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2	C[5,6](C[5]Si[5,5]N)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2{1|Si<4>,1|N<2>,3|C<4>,4|H<1>}	111.5450	0.513	2	111.5450	0.264	2	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]Si[5]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,2|C<4>,4|H<1>}	112.8890	0.170	2	112.8890	0.029	2	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,4|H<1>}	109.5635	1.619	2	109.5635	2.620	2	111.1923	2.836	11	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	110.2670	0.283	2	110.2670	0.080	2	110.2670	0.080	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.9820	0.000	1	111.9820	0.000	1	112.4010	0.351	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	112.8200	0.000	1	112.8200	0.000	1	112.4010	0.351	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	112.0875	1.242	2	112.0875	1.544	2	112.0875	1.544	2	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(H)2{1|O<1>,4|C<4>,4|H<1>}	112.8220	0.092	2	112.8220	0.008	2	112.4933	0.179	4	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	112.1645	0.310	2	112.1645	0.096	2	112.4933	0.179	4	111.9692	2.286	36	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){1|C<3>,1|C<4>,4|H<1>}	113.6080	0.645	3	113.6080	0.416	3	113.6080	0.416	3	113.1941	1.681	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	113.1941	1.681	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	113.1941	1.681	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:2:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H)	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]CH)(CN)(H){1|O<1>,4|C<4>,4|H<1>}	113.2107	1.934	4	113.2107	3.742	4	113.2107	3.742	4	113.1941	1.681	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:3:1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H)	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5,6]HH)(CNO)(H){1|O<1>,4|C<4>,4|H<1>}	115.1700	1.055	2	115.1700	1.113	2	115.1700	1.113	2	115.1700	1.113	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4460	0.000	1	112.4460	0.000	1	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	115.6270	0.000	1	115.2555	3.164	4	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.7020	0.000	1	115.2555	3.164	4	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	114.0800	0.000	1	115.2555	3.164	4	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	117.6130	0.000	1	115.2555	3.164	4	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	113.9170	0.000	1	114.2532	0.160	5	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	114.3372	0.408	4	114.2532	0.160	5	114.4734	1.881	10	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	111.4300	0.290	2	111.4300	0.084	2	111.4300	0.084	2	113.7915	3.101	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:4:4:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2	C[5,6](C[6]C[6,6]O)(C[5]C[5]CC)(C[5]C[5]HO)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:3:1:1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.9920	1.930	2	109.9920	3.726	2	109.9920	3.726	2	109.9920	3.726	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	113.6925	8.335	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	113.6925	8.335	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:2:2:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	113.5865	0.343	4	113.5865	0.118	4	113.5865	0.118	4	113.5865	0.118	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	114.1460	2.726	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	114.1460	2.726	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:3:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	114.1460	2.726	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,4|C<4>}	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	112.0040	3.731	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:2:1:1:	N[5,5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]N[5,5]C[6]2)(O[5]C[5,5])(H)2{2|C<3>,3|C<4>,3|H<1>}	113.0990	0.518	2	113.0990	0.268	2	113.0990	0.268	2	112.0040	3.731	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	110.6846	15.334	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	110.6846	15.334	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	104.0300	0.000	1	104.0300	0.000	1	104.0300	0.000	1	110.6846	15.334	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:1:1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	111.6830	1.138	2	111.6830	1.296	2	111.6830	1.296	2	110.6846	15.334	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	3:4:4:4:	4:4:4:2:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,4|C<4>}	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:2:4:	4:4:1:1:	3:4:1:1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	117.4117	0.358	4	117.4117	0.128	4	117.2432	0.238	5	117.2432	0.238	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:2:4:	4:4:1:1:	3:4:1:1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	116.5690	0.000	1	116.5690	0.000	1	117.2432	0.238	5	117.2432	0.238	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:2:4:	4:4:1:1:	3:4:2:1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	116.4650	0.389	7	116.4650	0.151	7	116.4650	0.151	7	116.4650	0.151	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	113.2614	0.447	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	113.0137	1.115	3	113.0137	1.243	3	113.0137	1.243	3	113.2614	0.447	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	113.4935	0.320	4	113.4362	0.216	6	113.4362	0.216	6	113.2614	0.447	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	113.3215	0.855	2	113.4362	0.216	6	113.4362	0.216	6	113.2614	0.447	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	113.2160	0.239	2	113.5943	0.324	13	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|H<1>}	113.6631	0.591	11	113.5943	0.324	13	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	112.4170	0.000	1	113.2871	0.326	18	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	113.1236	0.799	5	113.2871	0.326	18	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	113.4278	0.412	12	113.2871	0.326	18	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	114.1277	1.272	24	114.0857	1.480	27	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[5,6](C[6]C[6,6a]HH)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	113.7493	0.663	3	114.0857	1.480	27	113.7277	0.967	58	113.7277	0.967	58	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:3:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCO)(H){2|C<3>,3|H<1>}	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:1:1:	4:4:4:3:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO){2|C<3>,3|H<1>}	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:2:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:2:1:	4:4:2:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	3:4:4:1:	4:4:2:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.0750	1.837	3	115.0750	3.375	3	115.0750	3.375	3	115.0750	3.375	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:1:1:	4:4:3:3:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	116.1290	0.283	2	116.1290	0.080	2	116.1290	0.080	2	116.1290	0.080	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:2:1:	4:4:2:1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	113.7490	0.665	2	113.7490	0.442	2	113.7490	0.442	2	113.7490	0.442	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	114.3380	0.000	1	113.6805	0.865	2	113.1438	0.876	5	113.1438	0.876	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.0230	0.000	1	113.6805	0.865	2	113.1438	0.876	5	113.1438	0.876	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	112.7860	0.917	3	112.7860	0.841	3	113.1438	0.876	5	113.1438	0.876	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:3:4:1:	4:4:3:1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	112.7610	0.652	2	112.7610	0.425	2	112.7610	0.425	2	112.7610	0.425	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	113.3225	2.219	4	113.3225	4.922	4	113.5995	4.227	6	113.8031	3.813	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	114.1535	2.334	2	114.1535	5.448	2	113.5995	4.227	6	113.8031	3.813	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	113.8031	3.813	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|H<1>,3|C<4>}	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	116.9223	18.446	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CO)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	119.3760	0.877	2	119.3760	0.769	2	119.3760	0.769	2	116.9223	18.446	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	114.1388	1.241	5	114.1388	1.540	5	114.1388	1.540	5	113.7676	1.470	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	113.1910	0.000	1	113.1910	0.000	1	112.8395	0.247	2	113.7676	1.470	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	112.4880	0.000	1	112.4880	0.000	1	112.8395	0.247	2	113.7676	1.470	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	116.4560	0.000	1	116.4560	0.000	1	116.4560	0.000	1	116.4560	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5]C[5,5]HH)(N[5,6]C[5,6])(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:1:	4:4:4:2:	4:2:1:1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	118.7905	1.667	2	118.7905	2.778	2	118.7905	2.778	2	118.7905	2.778	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	C[5,6]-4:C[6,6]-4:S-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC)	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H)	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]S)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<4>}	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:3:2:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2{3|C<4>,4|H<1>}	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	111.4912	1.736	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[4x5,6,6]C[3x5,3x6]C[4x5,3x6]C[5,5])(C[5,6]O[5,6]C[6]C)(H)2{1|O<1>,3|H<1>,6|C<4>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	111.4912	1.736	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2{1|O<2>,2|C<3>,3|H<1>,8|C<4>}	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	111.4912	1.736	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.4912	1.736	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2{3|H<1>,6|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|C<4>,3|H<1>}	112.5790	0.027	2	112.5790	0.001	2	112.5790	0.001	2	111.4912	1.736	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:1:1:	4:4:3:1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	111.3010	0.000	1	111.3010	0.000	1	111.5080	0.299	3	111.5080	0.299	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	111.6115	0.730	2	111.6115	0.534	2	111.5080	0.299	3	111.5080	0.299	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[6]2O[5])(H)2{1|O<2>,2|C<3>,3|H<1>,8|C<4>}	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	112.6650	0.465	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[5](C[5,4x6]C[5,6,6]C[3x6]2)(C[5,6]C[6]2O[5])(H)2{1|O<2>,3|C<3>,4|H<1>,6|C<4>}	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.6650	0.465	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:2:4:	4:4:1:1:	3:4:4:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2{3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	117.5950	0.607	2	117.5950	0.368	2	117.5950	0.368	2	117.5950	0.368	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:1:	4:3:3:1:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](C[6]C[6,6a]HH)(C[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{3|C<3>,3|H<1>}	111.6112	0.475	6	111.6112	0.225	6	111.6112	0.225	6	111.6112	0.225	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	3:4:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	116.7200	0.000	1	116.7200	0.000	1	116.7200	0.000	1	116.7200	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:2:1:1:	4:3:2:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:2:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	110.0255	0.320	2	110.0255	0.103	2	110.0255	0.103	2	110.0255	0.103	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:2:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|O<1>,2|H<1>,3|C<3>}	110.1780	0.122	2	110.1780	0.015	2	110.1780	0.015	2	111.3550	4.163	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.7090	0.000	1	113.7090	0.000	1	113.7090	0.000	1	111.3550	4.163	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:4:3:1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:3:4:2:	4:4:3:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	120.6610	0.000	1	120.1760	0.470	2	120.1760	0.470	2	120.1760	0.470	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	119.6910	0.000	1	120.1760	0.470	2	120.1760	0.470	2	120.1760	0.470	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	116.8300	0.000	1	118.2010	3.759	2	118.2010	3.759	2	118.2010	3.759	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	119.5720	0.000	1	118.2010	3.759	2	118.2010	3.759	2	118.2010	3.759	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,5,6]HH)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	114.5270	0.445	2	114.5270	0.198	2	114.5270	0.198	2	114.5270	0.198	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	116.2489	6.934	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	116.6830	0.436	2	116.6830	0.190	2	116.6830	0.190	2	116.2489	6.934	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	116.2490	0.000	1	115.7268	0.140	5	116.8804	4.363	8	116.2489	6.934	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	115.5962	0.271	4	115.7268	0.140	5	116.8804	4.363	8	116.2489	6.934	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	118.8030	2.474	3	118.8030	6.119	3	116.8804	4.363	8	116.2489	6.934	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:2:1:1:	4:4:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:2:4:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	117.5770	1.201	2	117.5770	1.442	2	117.5770	1.442	2	117.5770	1.442	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:3:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	117.0247	1.063	3	117.0247	1.129	3	117.0247	1.129	3	117.0247	1.129	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	115.6835	0.268	2	115.6835	0.072	2	115.6835	0.072	2	115.6835	0.072	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.9885	0.081	2	117.9885	0.007	2	117.8171	1.053	8	117.8171	1.053	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	116.4510	0.000	1	116.4510	0.000	1	117.8171	1.053	8	117.8171	1.053	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	119.0325	1.143	2	119.0325	1.307	2	117.8171	1.053	8	117.8171	1.053	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	117.2130	0.000	1	117.3480	0.257	3	117.8171	1.053	8	117.8171	1.053	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|N<2>,3|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	117.4155	0.698	2	117.3480	0.257	3	117.8171	1.053	8	117.8171	1.053	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:2:	4:4:1:1:	4:4:3:1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:1:	4:3:2:1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	112.6795	0.915	4	112.6795	0.837	4	112.6795	0.837	4	112.6795	0.837	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:1:	4:3:3:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:1:	4:3:4:1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	114.2520	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:2:1:1:	4:4:3:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	115.9730	0.000	1	115.9730	0.000	1	115.9730	0.000	1	114.3205	4.328	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	112.5225	0.101	2	112.5225	0.010	2	112.5225	0.010	2	114.3205	4.328	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	114.3205	4.328	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:3:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	114.4215	3.866	2	114.4215	14.944	2	114.4215	14.944	2	114.4215	14.944	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	3:4:1:1:	4:3:2:1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:2:1:1:	4:2:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:2:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.5330	0.383	2	114.5330	0.147	2	114.5330	0.147	2	114.5330	0.147	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:2:1:1:	4:4:3:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	114.3925	0.367	2	114.3925	0.135	2	114.3925	0.135	2	114.3925	0.135	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:2:3:1:	4:3:3:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H){1|H<1>,1|N<3>,2|O<1>,2|O<2>,4|C<3>}	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:2:3:1:	4:3:3:2:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	110.1870	0.000	1	110.6265	0.386	2	110.6265	0.386	2	110.6265	0.386	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	111.0660	0.000	1	110.6265	0.386	2	110.6265	0.386	2	110.6265	0.386	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:3:2:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	112.4710	0.571	4	112.4710	0.326	4	112.4710	0.326	4	112.4710	0.326	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	111.2640	0.188	2	111.2640	0.035	2	111.2640	0.035	2	111.2640	0.035	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:3:1:1:	4:4:2:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	109.4750	1.005	4	109.4750	1.010	4	109.4750	1.010	4	109.4750	1.010	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	111.9320	0.000	1	111.9995	0.009	2	111.9995	0.009	2	111.9995	0.009	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	112.0670	0.000	1	111.9995	0.009	2	111.9995	0.009	2	111.9995	0.009	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	113.8630	0.946	2	113.8630	0.895	2	113.0793	0.369	10	113.0793	0.369	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	112.9613	0.304	7	112.8834	0.128	8	113.0793	0.369	10	113.0793	0.369	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	112.3380	0.000	1	112.8834	0.128	8	113.0793	0.369	10	113.0793	0.369	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:2:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	111.1430	0.000	1	111.1430	0.000	1	112.6638	4.552	6	112.6638	4.552	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	113.5147	2.767	3	112.9680	4.996	5	112.6638	4.552	6	112.6638	4.552	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	112.1480	1.560	2	112.9680	4.996	5	112.6638	4.552	6	112.6638	4.552	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:2:1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	113.4830	0.605	7	113.5039	0.317	8	113.5039	0.317	8	113.5039	0.317	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:2:1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.6500	0.000	1	113.5039	0.317	8	113.5039	0.317	8	113.5039	0.317	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){4|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	111.6604	8.397	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	109.9965	0.218	2	109.1810	2.019	3	110.6792	10.325	4	111.6604	8.397	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	107.5500	0.000	1	109.1810	2.019	3	110.6792	10.325	4	111.6604	8.397	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.1740	0.000	1	115.1740	0.000	1	110.6792	10.325	4	111.6604	8.397	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	114.2860	0.106	2	114.2860	0.011	2	114.2860	0.011	2	111.6604	8.397	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	107.8620	0.246	2	107.8620	0.061	2	106.8793	2.927	3	106.8793	2.927	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]O)(C[5]C[5]HO)(C[6]C[6]HH){5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	104.9140	0.000	1	104.9140	0.000	1	106.8793	2.927	3	106.8793	2.927	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:2:1:	4:3:4:1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	112.7366	0.249	7	112.7505	0.109	10	112.7505	0.109	10	112.7505	0.109	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	112.5440	0.000	1	112.7505	0.109	10	112.7505	0.109	10	112.7505	0.109	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:3:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	112.9025	0.723	2	112.7505	0.109	10	112.7505	0.109	10	112.7505	0.109	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:4:2:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	115.1350	0.000	1	115.1350	0.000	1	113.1948	4.675	6	113.1948	4.675	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	112.5367	3.009	3	112.8068	4.715	5	113.1948	4.675	6	113.1948	4.675	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:3:4:4:	4:4:3:1:	3:4:4:3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	113.2120	0.458	2	112.8068	4.715	5	113.1948	4.675	6	113.1948	4.675	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:3:2:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	114.9880	0.000	1	114.9880	0.000	1	114.6450	0.235	2	114.6450	0.235	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:3:2:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	114.3020	0.000	1	114.3020	0.000	1	114.6450	0.235	2	114.6450	0.235	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:3:4:1:	4:4:2:1:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:3:3:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	114.7670	0.000	1	114.7670	0.000	1	115.2677	0.674	3	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	114.8210	0.000	1	114.8210	0.000	1	115.2677	0.674	3	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	116.2150	0.000	1	116.2150	0.000	1	115.2677	0.674	3	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	115.2960	0.000	2	115.2960	0.000	2	115.0760	0.380	4	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	114.1680	0.000	1	114.1680	0.000	1	115.0760	0.380	4	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	115.5440	0.000	1	115.5440	0.000	1	115.0760	0.380	4	115.1581	0.425	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	114.1190	0.000	1	114.1190	0.000	1	114.1190	0.000	1	114.8337	1.625	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	115.8315	0.856	2	115.8315	0.733	2	115.8315	0.733	2	114.8337	1.625	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	114.8337	1.625	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	115.6115	0.993	26	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	115.1990	1.629	2	115.5297	0.985	24	115.5297	0.985	24	115.6115	0.993	26	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	115.5598	0.970	22	115.5297	0.985	24	115.5297	0.985	24	115.6115	0.993	26	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	116.7930	0.000	1	116.7930	0.000	1	116.7930	0.000	1	115.6115	0.993	26	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:2:2:	4:2:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:3:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H){2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	117.4585	0.649	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	116.8890	0.000	1	116.8890	0.000	1	116.8890	0.000	1	117.4585	0.649	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:4:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	115.1200	1.189	2	115.1200	1.415	2	115.1200	1.415	2	115.1200	1.415	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>}	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]2O[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:3:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	114.7890	0.000	1	114.3897	0.768	3	114.6080	0.702	4	114.6080	0.702	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:3:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	114.1900	1.138	2	114.3897	0.768	3	114.6080	0.702	4	114.6080	0.702	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:3:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	115.2630	0.000	1	115.2630	0.000	1	114.6080	0.702	4	114.6080	0.702	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	111.8690	1.252	7	111.8690	1.569	7	111.8690	1.569	7	111.8690	1.569	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2{2|H<1>,2|O<2>,7|C<4>}	109.5775	0.015	2	109.5775	0.000	2	109.5775	0.000	2	109.5775	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	3:4:4:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.7155	0.473	2	111.7155	0.224	2	111.7155	0.224	2	111.7155	0.224	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:3:3:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:3:3:3:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:1:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	113.3790	1.805	2	113.3790	3.256	2	113.3790	3.256	2	113.3790	3.256	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.5847	1.074	3	112.5847	1.153	3	112.5847	1.153	3	112.5847	1.153	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:3:3:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	117.3077	0.951	3	117.3077	0.904	3	117.3077	0.904	3	117.3077	0.904	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:4:1:1:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.2680	0.083	2	112.2680	0.007	2	112.3282	0.096	8	112.3282	0.096	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:2:1:	4:4:1:1:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.3483	0.362	6	112.3483	0.131	6	112.3282	0.096	8	112.3282	0.096	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:3:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:3:4:4:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6]){2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	115.4567	1.289	3	115.4567	1.661	3	115.4567	1.661	3	115.4567	1.661	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:3:1:	4:4:2:1:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:3:3:1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:2:1:	4:3:3:1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:2:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	112.2527	3.268	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|O<1>,3|H<1>}	113.2885	0.313	2	113.2885	0.098	2	113.2885	0.098	2	112.2527	3.268	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	115.2000	0.000	1	113.5140	5.685	2	113.5140	5.685	2	112.8110	4.325	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	111.8280	0.000	1	113.5140	5.685	2	113.5140	5.685	2	112.8110	4.325	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	112.8110	4.325	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	110.3510	0.884	3	110.3510	0.781	3	110.3510	0.781	3	110.3510	0.781	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:3:4:2:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	111.7365	2.153	2	111.7365	4.636	2	112.5336	3.280	7	112.5336	3.280	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	112.2060	0.000	1	112.2060	0.000	1	112.5336	3.280	7	112.5336	3.280	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	111.8890	0.000	1	111.8890	0.000	1	112.5336	3.280	7	112.5336	3.280	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	113.3890	2.351	3	113.3890	5.526	3	112.5336	3.280	7	112.5336	3.280	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	112.1143	0.010	3	112.1143	0.000	3	112.1143	0.000	3	111.6873	0.730	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	111.6873	0.730	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:3:2:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	115.9180	0.000	2	115.9180	0.000	2	115.9180	0.000	2	115.9180	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	109.2567	0.669	3	109.2567	0.448	3	109.2567	0.448	3	109.6223	0.833	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	109.6223	0.833	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.1140	0.000	1	111.7347	0.120	3	111.9682	0.298	4	112.3124	0.732	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	111.5450	0.157	2	111.7347	0.120	3	111.9682	0.298	4	112.3124	0.732	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.6690	0.000	1	112.6690	0.000	1	111.9682	0.298	4	112.3124	0.732	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	112.7713	1.093	3	112.7713	1.196	3	112.7713	1.196	3	112.3124	0.732	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	112.8980	0.000	1	113.0027	0.146	3	113.0027	0.146	3	113.0740	0.118	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	113.4260	0.000	1	113.0027	0.146	3	113.0027	0.146	3	113.0740	0.118	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	112.6840	0.000	1	113.0027	0.146	3	113.0027	0.146	3	113.0740	0.118	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.0740	0.118	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.6070	0.000	1	113.6520	0.052	3	113.6520	0.052	3	113.6520	0.052	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.6745	0.317	2	113.6520	0.052	3	113.6520	0.052	3	113.6520	0.052	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	114.1747	0.651	3	114.1747	0.424	3	114.2073	0.287	4	114.2073	0.287	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	114.3050	0.000	1	114.3050	0.000	1	114.2073	0.287	4	114.2073	0.287	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	113.7620	0.000	1	113.7620	0.000	1	112.9363	1.998	7	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	111.7480	0.000	1	111.7480	0.000	1	112.9363	1.998	7	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	114.1030	0.660	3	113.4417	2.039	4	112.9363	1.998	7	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	111.4580	0.000	1	113.4417	2.039	4	112.9363	1.998	7	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	111.2770	0.000	1	111.2770	0.000	1	112.9363	1.998	7	113.0140	1.761	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	114.9415	0.192	2	114.9415	0.037	2	114.9415	0.037	2	114.9415	0.037	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	118.7841	2.366	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.1633	2.408	3	118.4748	4.254	4	118.8018	2.836	6	118.7841	2.366	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	119.4090	0.000	1	118.4748	4.254	4	118.8018	2.836	6	118.7841	2.366	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.4560	0.371	2	119.4560	0.137	2	118.8018	2.836	6	118.7841	2.366	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	118.4520	0.000	1	117.9940	3.427	4	117.9940	3.427	4	117.9940	3.427	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	117.4360	3.002	2	117.9940	3.427	4	117.9940	3.427	4	117.9940	3.427	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	118.6520	0.000	1	117.9940	3.427	4	117.9940	3.427	4	117.9940	3.427	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	113.1930	0.000	1	113.1930	0.000	1	117.5076	9.865	7	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	113.3710	0.000	1	113.3710	0.000	1	117.5076	9.865	7	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.1010	1.000	3	120.1010	0.999	3	117.5076	9.865	7	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.8430	1.030	2	117.8430	1.060	2	117.5076	9.865	7	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){1|C<4>,2|C<3>,4|H<1>}	114.8160	0.000	1	114.8160	0.000	1	114.3790	0.382	2	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Cl-1:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(Cl)(H){3|C<3>,4|H<1>}	113.9420	0.000	1	113.9420	0.000	1	114.3790	0.382	2	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	123.2920	0.000	1	123.2920	0.000	1	124.1817	12.903	3	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	121.1180	0.000	1	124.6265	24.619	2	124.1817	12.903	3	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	128.1350	0.000	1	124.6265	24.619	2	124.1817	12.903	3	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.1870	0.000	1	113.1870	0.000	1	116.4040	20.698	2	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.6210	0.000	1	119.6210	0.000	1	116.4040	20.698	2	118.3331	19.398	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.4220	0.356	2	112.4220	0.127	2	112.4220	0.127	2	114.6520	4.264	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	115.9605	0.401	2	116.1387	0.176	3	116.1387	0.176	3	114.6520	4.264	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.4950	0.000	1	116.1387	0.176	3	116.1387	0.176	3	114.6520	4.264	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.9400	0.000	1	111.9400	0.000	1	111.9400	0.000	1	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.5740	0.197	2	110.5740	0.039	2	110.5740	0.039	2	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.3025	0.428	2	116.3025	0.183	2	116.3025	0.183	2	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	119.8500	0.000	1	119.8500	0.000	1	119.8500	0.000	1	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.5048	0.335	8	116.5048	0.112	8	116.5234	1.073	14	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.1350	0.194	2	115.1350	0.038	2	116.5234	1.073	14	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	117.3000	0.000	1	118.3510	2.209	2	116.5234	1.073	14	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.4020	0.000	1	118.3510	2.209	2	116.5234	1.073	14	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	116.1590	0.331	2	116.1590	0.110	2	116.5234	1.073	14	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.8380	0.010	2	110.8380	0.000	2	110.8380	0.000	2	115.3999	6.977	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	114.3405	5.624	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	116.6960	0.000	1	116.6960	0.000	1	114.6347	7.917	3	114.3405	5.624	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.4290	0.000	1	111.4290	0.000	1	114.6347	7.917	3	114.3405	5.624	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.7790	0.000	1	115.7790	0.000	1	114.6347	7.917	3	114.3405	5.624	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,5|H<1>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	119.7157	1.258	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.0250	0.000	1	120.0250	0.000	1	119.2933	0.817	3	119.7157	1.258	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.2830	0.000	1	118.2830	0.000	1	119.2933	0.817	3	119.7157	1.258	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.5720	0.000	1	119.5720	0.000	1	119.2933	0.817	3	119.7157	1.258	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,4|H<1>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	117.4640	6.895	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.1545	1.051	2	114.1545	1.106	2	117.1540	8.247	5	117.4640	6.895	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.4570	0.000	1	118.4570	0.000	1	117.1540	8.247	5	117.4640	6.895	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	119.5020	1.079	2	119.5020	1.164	2	117.1540	8.247	5	117.4640	6.895	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	116.4835	0.738	2	116.4835	0.544	2	116.4835	0.544	2	117.4640	6.895	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9068	0.361	4	119.9068	0.130	4	119.9068	0.130	4	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	112.8190	0.000	1	112.8190	0.000	1	116.3750	6.493	4	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8820	0.000	1	117.8910	1.964	2	116.3750	6.493	4	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	116.9000	0.000	1	117.8910	1.964	2	116.3750	6.493	4	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.8990	0.000	1	116.8990	0.000	1	116.3750	6.493	4	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.1117	0.254	3	120.1117	0.064	3	120.1117	0.064	3	117.8197	9.000	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	114.7975	0.325	2	114.7975	0.105	2	114.7975	0.105	2	117.5997	2.581	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.3003	0.707	8	118.3003	0.499	8	118.3003	0.499	8	117.5997	2.581	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:3:3:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.8125	0.999	2	118.8125	0.998	2	118.8125	0.998	2	118.8125	0.998	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,2|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.5695	0.139	2	113.8133	4.651	3	115.9719	6.510	7	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	116.3010	0.000	1	113.8133	4.651	3	115.9719	6.510	7	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.6160	0.530	2	118.6160	0.281	2	115.9719	6.510	7	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.5655	0.902	2	116.5655	0.813	2	115.9719	6.510	7	116.1586	5.098	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	117.7977	0.201	6	117.7977	0.040	6	117.7977	0.040	6	117.7977	0.040	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.7430	0.000	1	113.6545	1.662	2	113.6545	1.662	2	113.6545	1.662	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	114.5660	0.000	1	113.6545	1.662	2	113.6545	1.662	2	113.6545	1.662	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.3000	0.123	2	112.3000	0.015	2	112.3000	0.015	2	112.3000	0.015	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	115.3210	12.983	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|S<4>,3|C<3>,3|H<1>}	117.3980	0.287	2	117.3980	0.082	2	117.3980	0.082	2	115.3210	12.983	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.8033	0.532	3	119.8033	0.283	3	119.8033	0.283	3	119.8033	0.283	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	120.1117	2.263	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.2545	0.342	2	119.2545	0.117	2	119.2545	0.117	2	120.1117	2.263	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.9090	0.000	1	119.4145	0.489	2	119.3143	0.420	4	119.3143	0.420	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	118.9200	0.000	1	119.4145	0.489	2	119.3143	0.420	4	119.3143	0.420	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	119.8180	0.000	1	119.8180	0.000	1	119.3143	0.420	4	119.3143	0.420	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.6100	0.000	1	118.6100	0.000	1	119.3143	0.420	4	119.3143	0.420	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|C<4>}	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	112.2014	2.883	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	112.2014	2.883	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	113.0280	0.000	1	111.8853	1.011	3	112.7912	2.273	6	112.2014	2.883	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	111.3140	0.253	2	111.8853	1.011	3	112.7912	2.273	6	112.2014	2.883	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|O<2>,2|C<4>,3|H<1>}	113.6970	1.486	3	113.6970	2.209	3	112.7912	2.273	6	112.2014	2.883	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.4450	0.405	3	116.4450	0.164	3	116.4450	0.164	3	116.4450	0.164	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	121.9390	0.000	1	121.9390	0.000	1	115.5405	81.882	2	112.0336	30.385	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	109.1420	0.000	1	109.1420	0.000	1	115.5405	81.882	2	112.0336	30.385	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<2>,4|H<1>}	117.3340	0.000	1	117.3340	0.000	1	110.7200	32.951	3	112.0336	30.385	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	107.4130	0.533	2	107.4130	0.284	2	110.7200	32.951	3	112.0336	30.385	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<4>,3|H<1>,3|O<2>}	110.4970	0.178	2	110.4970	0.032	2	110.4970	0.032	2	112.0336	30.385	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	115.5853	2.866	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	115.7863	2.014	3	115.7863	4.057	3	115.7863	4.057	3	115.5853	2.866	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<2>,4|C<4>,4|H<1>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,7|H<1>}	112.3180	0.000	1	112.3180	0.000	1	113.0128	0.461	6	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	113.1518	0.657	5	113.1518	0.432	5	113.0128	0.461	6	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.3280	0.000	1	116.3280	0.000	1	116.3280	0.000	1	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	110.5730	0.000	1	110.5730	0.000	1	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.8350	0.000	1	111.8350	0.000	1	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<2>,5|H<1>}	115.5440	0.000	1	115.5440	0.000	1	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	115.3760	0.188	2	115.4303	0.297	10	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	114.7220	0.000	1	115.4303	0.297	10	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	115.5470	0.582	7	115.4303	0.297	10	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	114.8200	0.000	1	114.8200	0.000	1	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.1290	0.075	2	110.1290	0.006	2	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)(H)2{1|C<3>,1|O<2>,4|H<1>}	112.4620	0.000	1	112.4620	0.000	1	114.1056	4.673	17	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	111.1780	0.014	2	111.1780	0.000	2	111.1780	0.000	2	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	113.8424	4.030	30	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	114.1700	0.000	1	114.1700	0.000	1	114.1700	0.000	1	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5,5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.6640	0.000	1	113.6640	0.000	1	113.9442	8.686	5	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.0700	0.000	1	109.0700	0.000	1	113.9442	8.686	5	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,3|C<3>,5|H<1>}	114.5970	0.000	1	115.6623	1.027	3	113.9442	8.686	5	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.1950	0.593	2	115.6623	1.027	3	113.9442	8.686	5	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.2050	0.000	1	119.2050	0.000	1	116.5025	14.607	2	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.8000	0.000	1	113.8000	0.000	1	116.5025	14.607	2	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)(H){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	111.3270	0.643	2	111.3270	0.414	2	111.3270	0.414	2	113.9550	8.512	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(CF3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	113.2557	15.983	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	114.6210	0.000	1	114.6210	0.000	1	115.5065	1.568	2	113.2557	15.983	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	116.3920	0.000	1	116.3920	0.000	1	115.5065	1.568	2	113.2557	15.983	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	112.3600	0.000	1	112.3600	0.000	1	109.9865	11.267	2	109.9865	11.267	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|O<2>,4|H<1>}	107.6130	0.000	1	107.6130	0.000	1	109.9865	11.267	2	109.9865	11.267	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	119.3800	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|O<2>,3|H<1>}	116.4835	0.846	2	116.4835	0.716	2	116.4835	0.716	2	116.4835	0.716	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.7085	0.064	2	115.7085	0.004	2	115.7085	0.004	2	115.7085	0.004	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.4630	0.000	1	114.4630	0.000	1	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.5483	1.197	3	113.5483	1.432	3	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.8500	2.928	4	117.3584	10.039	9	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.7605	0.238	2	117.3584	10.039	9	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3230	0.000	1	117.3584	10.039	9	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.9910	0.143	2	117.3584	10.039	9	116.2565	9.944	13	116.2565	9.944	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	115.4090	0.000	2	115.4090	0.000	2	115.4090	0.000	2	118.8967	11.053	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	117.6530	0.000	1	117.6530	0.000	1	120.6405	6.257	4	118.8967	11.053	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	121.2860	0.000	1	121.2860	0.000	1	120.6405	6.257	4	118.8967	11.053	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.9830	0.000	1	119.9830	0.000	1	120.6405	6.257	4	118.8967	11.053	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.6400	0.000	1	123.6400	0.000	1	120.6405	6.257	4	118.8967	11.053	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:2:4:4:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.0330	0.176	3	122.0330	0.031	3	122.0330	0.031	3	122.0330	0.031	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.6790	0.000	2	119.6790	0.000	2	117.1987	18.456	3	117.1987	18.456	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	112.2380	0.000	1	112.2380	0.000	1	117.1987	18.456	3	117.1987	18.456	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	112.5530	0.000	1	112.8885	0.225	2	112.8885	0.225	2	113.6017	1.638	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,4|H<1>}	113.2240	0.000	1	112.8885	0.225	2	112.8885	0.225	2	113.6017	1.638	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	113.6017	1.638	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	118.0427	13.641	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2{3|H<1>,4|C<3>}	120.9500	0.000	1	120.9500	0.000	1	116.8883	12.466	3	118.0427	13.641	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	115.1630	0.000	1	115.1630	0.000	1	116.8883	12.466	3	118.0427	13.641	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	114.5520	0.000	1	114.5520	0.000	1	116.8883	12.466	3	118.0427	13.641	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	113.9310	0.000	1	113.9310	0.000	1	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.7250	0.000	1	110.7250	0.000	1	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	117.6680	0.000	1	117.6680	0.000	1	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	113.0335	1.269	2	115.7963	9.535	7	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	116.6965	0.153	2	115.7963	9.535	7	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	116.7635	5.798	2	115.7963	9.535	7	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	117.5870	0.000	1	115.7963	9.535	7	115.2898	9.705	10	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	112.7650	0.000	1	113.1380	0.278	2	113.1380	0.278	2	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|N<3>,4|H<1>}	113.5110	0.000	1	113.1380	0.278	2	113.1380	0.278	2	114.2576	8.819	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	116.1755	5.142	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.7790	0.000	1	117.7790	0.000	1	117.7790	0.000	1	116.1755	5.142	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	115.7160	0.016	2	115.7160	0.000	2	116.6425	0.545	6	116.6425	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	117.2470	0.000	1	117.0190	0.104	2	116.6425	0.545	6	116.6425	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	116.7910	0.000	1	117.0190	0.104	2	116.6425	0.545	6	116.6425	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	117.1925	0.118	2	117.1925	0.014	2	116.6425	0.545	6	116.6425	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	118.0890	0.089	2	118.0890	0.008	2	118.0890	0.008	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.0270	0.000	1	113.0270	0.000	1	111.9853	5.284	7	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.0554	2.676	5	111.8117	6.087	6	111.9853	5.284	7	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.5930	0.000	1	111.8117	6.087	6	111.9853	5.284	7	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(S[5]N[5,5]OO)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	110.8955	0.964	2	110.8955	0.929	2	110.8955	0.929	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]Br)(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|O<2>,4|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>,2|F<1>}	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.6200	0.000	1	112.6200	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.6260	0.000	1	114.8553	21.597	3	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.4270	0.000	1	114.8553	21.597	3	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.5130	0.000	1	114.8553	21.597	3	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	115.6530	0.010	2	115.6530	0.000	2	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	111.7850	0.000	1	111.7850	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	118.6640	0.000	1	118.6640	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.9320	0.000	1	113.9320	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.7040	0.000	1	115.7040	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	119.6895	0.230	2	119.6895	0.053	2	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	121.0000	0.000	1	120.2695	1.067	2	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	119.5390	0.000	1	120.2695	1.067	2	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>,3|H<1>}	113.0570	0.000	1	113.0570	0.000	1	116.1035	11.523	15	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]C[5]O)(H)2{1|C<4>,3|C<3>,5|H<1>}	113.4405	2.261	2	113.4405	5.110	2	113.4405	5.110	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	110.7470	0.000	1	112.0717	5.861	3	111.3827	3.420	6	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,5|C<4>,5|H<1>}	114.8660	0.000	1	112.0717	5.861	3	111.3827	3.420	6	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,4|C<4>,5|H<1>}	110.6020	0.000	1	112.0717	5.861	3	111.3827	3.420	6	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	110.4060	1.426	2	110.4060	2.032	2	111.3827	3.420	6	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|O<2>,4|C<4>,5|H<1>}	111.2690	0.000	1	111.2690	0.000	1	111.3827	3.420	6	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	111.9040	0.000	1	111.9040	0.000	1	111.8307	0.646	3	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	112.5950	0.000	1	112.5950	0.000	1	111.8307	0.646	3	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	110.9930	0.000	1	110.9930	0.000	1	111.8307	0.646	3	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.5320	4.542	2	113.5320	20.634	2	113.5320	20.634	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.6080	0.000	1	113.6080	0.000	1	113.3230	0.162	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|H<1>}	113.0380	0.000	1	113.0380	0.000	1	113.3230	0.162	2	113.9927	11.653	50	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.1290	0.336	5	111.1290	0.113	5	111.6156	0.898	7	112.1996	3.499	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	112.2020	0.000	1	112.2020	0.000	1	111.6156	0.898	7	112.1996	3.499	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CHO)(H){1|C<3>,1|O<2>,3|H<1>}	113.4620	0.000	1	113.4620	0.000	1	111.6156	0.898	7	112.1996	3.499	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	112.1996	3.499	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CCO)2{1|C<4>,2|C<3>,3|H<1>}	110.9435	0.363	2	110.9435	0.132	2	110.9435	0.132	2	110.9435	0.132	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.5290	0.000	1	111.5290	0.000	1	116.4902	15.036	6	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	121.7300	0.000	1	121.7300	0.000	1	116.4902	15.036	6	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	118.0340	0.000	1	118.0340	0.000	1	116.4902	15.036	6	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.4990	0.000	1	119.4990	0.000	1	116.4902	15.036	6	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	114.0745	0.067	2	114.0745	0.005	2	116.4902	15.036	6	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	115.7830	16.031	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	113.8623	7.667	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	112.2675	0.269	2	112.2675	0.073	2	112.2675	0.073	2	113.8623	7.667	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:3:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.6620	0.110	2	112.6620	0.012	2	112.6620	0.012	2	111.9413	1.564	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	111.9413	1.564	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.2745	0.193	2	111.2745	0.037	2	111.2745	0.037	2	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	114.3218	10.684	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	109.5180	0.000	1	109.5180	0.000	1	113.2395	27.699	2	113.4413	13.972	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	116.9610	0.000	1	116.9610	0.000	1	113.2395	27.699	2	113.4413	13.972	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	113.4413	13.972	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	114.1985	2.603	2	114.1985	6.775	2	114.1985	6.775	2	114.1985	6.775	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	114.2173	1.777	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	114.4175	0.056	2	114.7244	0.293	5	114.7244	0.293	5	114.2173	1.777	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	114.9290	0.654	3	114.7244	0.293	5	114.7244	0.293	5	114.2173	1.777	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	111.8370	0.000	1	111.8370	0.000	1	115.5675	27.833	2	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.2980	0.000	1	119.2980	0.000	1	115.5675	27.833	2	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	114.9910	0.000	1	114.9910	0.000	1	114.9910	0.000	1	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{3|C<3>,4|H<1>}	112.7610	0.000	1	112.7610	0.000	1	115.8140	10.644	3	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	115.4290	0.000	1	115.4290	0.000	1	115.8140	10.644	3	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	119.2520	0.000	1	119.2520	0.000	1	115.8140	10.644	3	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.3240	0.000	1	112.3240	0.000	1	114.5929	2.459	16	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	115.5275	0.374	2	114.7441	2.242	15	114.5929	2.459	16	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	114.6236	1.577	13	114.7441	2.242	15	114.5929	2.459	16	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	115.2730	0.000	1	116.6265	3.664	2	116.6265	3.664	2	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	117.9800	0.000	1	116.6265	3.664	2	116.6265	3.664	2	115.0931	4.253	27	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:2:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:3:3:	4:2:4:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	114.3900	0.653	2	114.3900	0.427	2	114.3900	0.427	2	114.3900	0.427	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	112.1920	6.573	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	113.9090	0.000	1	113.9090	0.000	1	113.9090	0.000	1	112.1920	6.573	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	112.1920	6.573	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.3342	0.516	4	112.3342	0.267	4	112.4597	0.367	6	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.0600	0.000	1	112.0600	0.000	1	112.4597	0.367	6	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.3610	0.000	1	113.3610	0.000	1	112.4597	0.367	6	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.7987	1.672	3	112.7987	2.797	3	112.5293	1.164	12	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.6183	0.243	3	112.6183	0.059	3	112.5293	1.164	12	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.7790	0.000	1	111.7790	0.000	1	112.5293	1.164	12	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.1877	1.257	4	112.1877	1.580	4	112.5293	1.164	12	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.5710	0.000	1	113.5710	0.000	1	112.5293	1.164	12	112.5061	0.862	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.4185	0.616	4	115.4185	0.379	4	115.4185	0.379	4	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.8340	0.000	1	117.8340	0.000	1	117.8340	0.000	1	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,4|H<1>}	114.9220	0.000	1	114.9220	0.000	1	114.9220	0.000	1	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|N<3>,2|C<4>,4|H<1>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	116.0186	9.428	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.5385	0.170	2	112.5385	0.029	2	112.5385	0.029	2	112.5385	0.029	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:2:4:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	114.3535	1.047	2	114.3535	1.097	2	114.3535	1.097	2	114.3535	1.097	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:3:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.8128	0.255	5	112.8128	0.065	5	112.8128	0.065	5	112.8128	0.065	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	116.4810	0.000	1	116.4810	0.000	1	117.3005	1.343	2	115.4587	10.849	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N[6a]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	118.1200	0.000	1	118.1200	0.000	1	117.3005	1.343	2	115.4587	10.849	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	115.4587	10.849	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:2:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:C-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	115.6020	0.672	2	115.6020	0.451	2	115.6020	0.451	2	115.6020	0.451	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	115.0410	0.000	1	115.0410	0.000	1	119.0610	32.321	2	119.0610	32.321	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	123.0810	0.000	1	123.0810	0.000	1	119.0610	32.321	2	119.0610	32.321	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	114.5750	0.389	2	114.5750	0.151	2	114.5750	0.151	2	114.5750	0.151	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5,6]C[5,3x6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	115.5500	0.380	2	115.5500	0.145	2	115.5500	0.145	2	115.2999	6.600	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	111.4150	0.000	1	111.4150	0.000	1	113.9357	13.303	3	115.2999	6.600	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.2740	0.000	1	112.2740	0.000	1	113.9357	13.303	3	115.2999	6.600	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,6|C<4>}	118.1180	0.000	1	118.1180	0.000	1	113.9357	13.303	3	115.2999	6.600	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	117.0960	0.829	2	117.0960	0.687	2	117.0960	0.687	2	115.2999	6.600	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.1200	0.000	1	121.4049	0.113	10	121.4049	0.113	10	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.3757	0.360	7	121.4049	0.113	10	121.4049	0.113	10	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.6495	0.187	2	121.4049	0.113	10	121.4049	0.113	10	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	115.7980	0.000	1	115.7980	0.000	1	112.8817	13.085	6	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	112.7818	4.105	4	112.7818	16.849	4	112.8817	13.085	6	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.3650	0.000	1	110.3650	0.000	1	112.8817	13.085	6	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	118.6068	21.300	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	121.9930	0.384	3	121.9960	0.098	4	121.9960	0.098	4	121.9960	0.098	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){3|C<3>,3|C<4>,8|H<1>}	122.0050	0.000	1	121.9960	0.098	4	121.9960	0.098	4	121.9960	0.098	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5,5])(H)2{3|H<1>,4|C<4>}	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.2880	0.000	1	112.2880	0.000	1	114.4615	9.448	2	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	116.6350	0.000	1	116.6350	0.000	1	114.4615	9.448	2	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]Br)(O[5]N[5])(H)2{1|S<4>,2|C<4>,3|H<1>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	112.6247	0.552	3	112.6247	0.305	3	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.6450	0.000	1	113.8793	5.928	3	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	112.3090	0.000	1	113.8793	5.928	3	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	116.6840	0.000	1	113.8793	5.928	3	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{3|C<4>,3|H<1>}	116.8470	1.183	3	116.8470	1.399	3	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	113.9860	0.000	1	113.9860	0.000	1	114.4039	4.852	10	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	113.9290	0.000	1	113.9290	0.000	1	117.4405	24.661	2	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.9520	0.000	1	120.9520	0.000	1	117.4405	24.661	2	114.0809	7.959	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	118.9280	0.000	2	118.9280	0.000	2	118.9280	0.000	2	115.3773	10.460	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H)	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]N[5,6])(COO)(H){1|O<2>,2|C<4>,3|H<1>}	113.2110	0.503	2	113.2110	0.253	2	113.2110	0.253	2	115.3773	10.460	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	111.3840	0.000	1	111.3840	0.000	1	113.9930	13.614	2	115.3773	10.460	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(COO)(H){3|C<4>,3|H<1>}	116.6020	0.000	1	116.6020	0.000	1	113.9930	13.614	2	115.3773	10.460	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	119.5190	0.000	1	119.5190	0.000	1	115.5547	17.841	3	115.5547	17.841	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	111.1120	0.000	1	111.1120	0.000	1	115.5547	17.841	3	115.5547	17.841	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	116.0330	0.000	1	116.0330	0.000	1	115.5547	17.841	3	115.5547	17.841	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	119.3425	1.053	2	119.3425	1.109	2	119.3425	1.109	2	119.3425	1.109	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	112.5866	0.484	5	112.5866	0.235	5	112.6579	0.172	7	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	112.8360	0.044	2	112.8360	0.002	2	112.6579	0.172	7	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{3|H<1>,4|C<4>}	121.4295	0.254	2	121.4295	0.064	2	121.4295	0.064	2	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	114.1003	0.136	3	114.1003	0.018	3	114.0985	0.159	6	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	114.7170	0.000	1	114.7170	0.000	1	114.0985	0.159	6	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	113.4870	0.000	1	113.4870	0.000	1	114.0985	0.159	6	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	114.0860	0.000	1	114.0860	0.000	1	114.0985	0.159	6	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	115.7533	0.320	3	115.7533	0.102	3	115.3942	0.301	5	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	114.8555	0.175	2	114.8555	0.031	2	115.3942	0.301	5	114.6873	6.100	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(N[5]C[4,5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	114.2090	0.000	1	114.2090	0.000	1	114.2090	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	112.3180	4.876	2	112.4999	3.529	16	112.6870	3.424	18	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	112.5259	1.496	14	112.4999	3.529	16	112.6870	3.424	18	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	113.8420	0.000	1	113.8420	0.000	1	112.6870	3.424	18	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	114.5250	0.000	1	114.5250	0.000	1	112.6870	3.424	18	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.5960	0.000	1	114.5960	0.000	1	115.4884	4.818	7	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{3|H<1>,4|C<4>}	116.6980	0.632	4	116.5768	0.373	5	115.4884	4.818	7	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.0920	0.000	1	116.5768	0.373	5	115.4884	4.818	7	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	110.9390	0.000	1	110.9390	0.000	1	115.4884	4.818	7	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	111.6440	0.000	1	111.6440	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.8980	0.000	1	110.8980	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.5850	0.000	1	109.5850	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	117.6710	0.000	1	117.6710	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.8440	0.000	1	110.2903	9.271	4	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	114.8150	0.000	1	110.2903	9.271	4	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	108.7510	0.714	2	110.2903	9.271	4	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	120.3050	0.000	1	120.3050	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.6180	0.000	1	114.6180	0.000	1	112.5882	16.801	10	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.7340	0.404	5	111.7340	0.163	5	111.7340	0.163	5	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,2|C<4>,2|F<1>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)2{4|H<1>,5|C<4>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.1970	0.000	1	115.1970	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.1600	0.000	1	115.1600	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.0990	0.000	1	111.0990	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)2{2|C<4>,5|H<1>}	106.4510	0.000	1	106.4510	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	115.4500	0.000	1	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.9090	0.000	1	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	114.7370	0.000	1	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{3|H<1>,4|C<4>}	117.1425	3.918	2	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.7690	0.000	1	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.6275	0.769	2	115.6756	3.227	8	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	109.6420	0.037	2	109.6420	0.001	2	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|Br<1>,2|H<1>,3|C<4>}	121.7425	0.520	2	121.7425	0.270	2	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	118.3660	0.000	1	118.3660	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.9810	0.000	1	113.9810	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.7037	0.599	3	112.7037	0.359	3	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.7140	0.000	1	109.7140	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	110.4100	0.000	1	113.9980	39.839	3	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|S<4>,2|C<4>,3|H<1>}	121.2860	0.000	1	113.9980	39.839	3	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|Os<6>,2|C<4>,3|H<1>}	110.2980	0.000	1	113.9980	39.839	3	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|H<1>,3|C<4>}	118.0470	0.000	1	118.0470	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.7810	0.000	1	112.7810	0.000	1	114.4102	15.676	27	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,4|C<4>,4|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	112.8880	0.000	1	112.8880	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	110.9220	0.000	1	110.9220	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	112.2900	0.000	1	112.2900	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.5030	0.000	1	113.5030	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	119.3400	0.000	1	119.3400	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	114.0080	2.147	2	114.0080	4.609	2	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<1>,2|C<4>,3|H<1>}	111.0000	0.161	3	114.3949	11.755	7	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	118.2640	0.000	1	114.3949	11.755	7	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	117.6265	0.149	2	114.3949	11.755	7	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	114.2470	0.000	1	114.3949	11.755	7	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7980	0.000	1	115.7980	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	116.4520	0.000	1	116.4520	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	110.4560	0.000	1	110.4560	0.000	1	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	115.1221	2.157	7	115.1221	4.653	7	114.4285	7.511	24	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	124.5330	0.000	1	124.5330	0.000	1	124.5330	0.000	1	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	121.0785	1.341	2	121.0785	1.799	2	121.0785	1.799	2	113.8345	12.213	102	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	120.4130	11.357	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	122.7960	0.000	1	122.7960	0.000	1	122.7960	0.000	1	120.4130	11.357	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:2:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:O-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	112.2940	0.529	2	112.2940	0.280	2	112.2940	0.280	2	112.2940	0.280	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:Se-2:C-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3){1|C<3>,1|C<4>,3|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	114.6135	0.414	2	114.6135	0.171	2	114.6135	0.171	2	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	119.7520	0.000	1	119.7520	0.000	1	118.5507	1.280	3	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(H){2|C<4>,5|H<1>}	118.3950	0.000	1	118.3950	0.000	1	118.5507	1.280	3	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	117.5050	0.000	1	117.5050	0.000	1	118.5507	1.280	3	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	114.6180	0.000	1	114.6180	0.000	1	115.2030	0.257	3	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	115.4955	0.019	2	115.4955	0.000	2	115.2030	0.257	3	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	121.1040	0.000	1	121.1040	0.000	1	121.1040	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]O)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	120.4890	0.000	1	120.4890	0.000	1	118.3765	8.925	2	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	116.2640	0.000	1	116.2640	0.000	1	118.3765	8.925	2	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	118.5300	0.000	1	118.5300	0.000	1	118.5300	0.000	1	116.3671	7.521	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2{1|C<4>,2|C<3>,3|H<1>}	123.3233	1.488	4	123.3233	2.213	4	123.3233	2.213	4	123.3233	2.213	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	111.5000	0.146	2	111.5000	0.021	2	111.5000	0.021	2	111.5000	0.021	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	113.1810	0.000	1	113.1810	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	110.2140	0.000	1	110.2140	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	112.5940	0.000	1	112.5940	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	114.3010	0.000	1	114.3010	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.6385	0.330	2	114.6385	0.109	2	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	120.5485	0.295	2	120.5485	0.087	2	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	116.1700	0.000	1	116.1700	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	121.7210	0.782	2	119.4423	15.050	15	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	116.5140	4.927	6	119.4423	15.050	15	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	121.2292	0.706	6	119.4423	15.050	15	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	121.7340	0.000	1	119.4423	15.050	15	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	115.7870	0.000	1	115.7870	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	113.9380	0.000	1	113.9380	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	122.2840	0.000	1	122.2840	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	112.9600	0.000	1	112.9600	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	112.0070	0.000	1	112.0070	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	113.3450	0.000	1	113.3450	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	118.0340	0.000	1	118.0340	0.000	1	117.3169	17.202	31	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.4550	0.000	1	121.4550	0.000	1	116.2067	7.357	8	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.1250	0.000	1	113.6845	0.388	2	116.2067	7.357	8	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.2440	0.000	1	113.6845	0.388	2	116.2067	7.357	8	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	117.2770	0.372	3	117.2770	0.138	3	116.2067	7.357	8	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.4995	1.141	2	114.4995	1.301	2	116.2067	7.357	8	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	112.8820	0.000	1	112.8820	0.000	1	113.9790	12.310	3	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	111.1500	0.000	1	111.1500	0.000	1	113.9790	12.310	3	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	117.9050	0.000	1	117.9050	0.000	1	113.9790	12.310	3	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	120.7475	0.360	2	120.7475	0.130	2	120.7475	0.130	2	116.7891	14.427	49	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	112.7510	0.000	1	112.7510	0.000	1	112.9980	0.122	2	112.9980	0.122	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	113.2450	0.000	1	113.2450	0.000	1	112.9980	0.122	2	112.9980	0.122	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{2|H<1>,3|C<4>}	115.0460	3.969	3	115.2690	10.700	4	116.3804	18.963	8	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	115.9380	0.000	1	115.2690	10.700	4	116.3804	18.963	8	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	121.8360	0.000	1	121.8360	0.000	1	116.3804	18.963	8	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	121.8290	0.000	1	121.8290	0.000	1	116.3804	18.963	8	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	113.1510	3.923	2	113.1510	15.390	2	116.3804	18.963	8	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	116.8601	15.772	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{2|H<1>,3|O<2>,4|C<4>}	110.3330	0.000	1	109.6384	0.905	5	109.6384	0.905	5	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	110.0790	0.392	2	109.6384	0.905	5	109.6384	0.905	5	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.0280	0.000	1	109.6384	0.905	5	109.6384	0.905	5	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	109.6730	0.000	1	109.6384	0.905	5	109.6384	0.905	5	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Cl-1:H-1:	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H)	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.1870	0.540	2	116.1870	0.292	2	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.9080	0.000	1	114.9080	0.000	1	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	117.9680	0.000	1	117.9680	0.000	1	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	116.8780	0.560	4	116.8780	0.314	4	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	118.4890	0.000	1	118.4890	0.000	1	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	122.9510	0.000	1	122.9510	0.000	1	117.4202	4.866	10	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)(H)2{1|N<2>,3|C<4>,3|H<1>}	116.6570	0.000	1	116.6570	0.000	1	117.3720	8.592	4	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.5665	0.172	2	115.5665	0.030	2	117.3720	8.592	4	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]HH)(H)2{2|H<1>,3|C<4>}	121.6980	0.000	1	121.6980	0.000	1	117.3720	8.592	4	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(H)2{1|Br<1>,3|H<1>,4|C<4>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,5]C[5,6]O[5]2)(H)2{3|H<1>,6|C<4>}	117.2495	0.241	4	117.2495	0.058	4	117.2495	0.058	4	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	117.8960	0.335	2	117.8960	0.112	2	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.6860	0.000	1	114.6860	0.000	1	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	112.6850	0.455	2	112.6850	0.207	2	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	109.1965	0.077	2	109.1965	0.006	2	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	110.5070	0.000	1	110.5070	0.000	1	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	111.5230	0.000	1	111.5230	0.000	1	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.3940	0.000	1	111.3940	0.000	1	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	116.3220	0.000	1	116.3220	0.000	1	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	118.8433	4.531	3	118.8433	20.526	3	114.3226	17.019	14	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)(H)2{3|H<1>,4|C<4>}	115.7050	0.115	2	115.7050	0.013	2	115.7050	0.013	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]Br)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,3|C<4>,5|H<1>}	112.0300	0.000	1	111.7500	0.157	2	111.7500	0.157	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.4700	0.000	1	111.7500	0.157	2	111.7500	0.157	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	115.4780	0.369	2	115.4780	0.136	2	115.3410	0.124	3	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.3410	0.124	3	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.9590	0.000	1	110.8450	0.026	2	110.8450	0.026	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	110.7310	0.000	1	110.8450	0.026	2	110.8450	0.026	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	115.7070	0.264	2	115.7070	0.070	2	115.7070	0.070	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(H)2{2|C<3>,3|C<4>,7|H<1>}	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.0530	0.000	1	112.0530	0.000	1	116.3928	14.413	6	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<2>,5|H<1>}	119.7730	0.000	1	119.7730	0.000	1	116.3928	14.413	6	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	121.2900	0.000	1	116.5050	20.690	3	116.3928	14.413	6	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,4|C<4>,4|H<1>}	114.1125	2.652	2	116.5050	20.690	3	116.3928	14.413	6	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.0160	0.000	1	117.0160	0.000	1	116.3928	14.413	6	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	116.1420	0.000	1	116.1420	0.000	1	116.0614	0.847	9	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	116.5973	0.925	4	116.5973	0.856	4	116.0614	0.847	9	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]S)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	115.5055	0.778	4	115.5055	0.606	4	116.0614	0.847	9	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	110.6855	0.289	2	110.6855	0.084	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	110.5980	0.000	1	110.5980	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	119.0795	0.217	2	119.0795	0.047	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(H)2{1|C<3>,1|C<4>,5|H<1>}	112.6555	0.228	2	112.6555	0.052	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	110.9530	0.000	1	110.9530	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	118.6815	0.647	2	118.6815	0.419	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	112.1080	0.079	2	113.3337	4.510	3	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.7850	0.000	1	113.3337	4.510	3	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	114.6380	0.000	1	114.6380	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	115.9540	0.059	2	115.9540	0.004	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	112.5320	0.597	2	112.5320	0.356	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	112.3460	0.000	1	112.3460	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	112.6070	0.000	1	112.6070	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.8410	0.000	1	120.3325	0.483	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,4|H<1>}	120.8240	0.000	1	120.3325	0.483	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	116.5080	0.000	1	116.5080	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	110.2590	0.000	1	110.2590	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	117.4380	1.198	2	117.4380	1.435	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	120.7570	0.662	4	120.7570	0.438	4	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.8260	0.103	2	120.8260	0.011	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	117.9670	0.000	1	115.0320	17.228	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	112.0970	0.000	1	115.0320	17.228	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	113.2260	0.000	1	114.0145	1.243	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]ClH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.8030	0.000	1	114.0145	1.243	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,4|H<1>}	116.4280	0.000	1	116.4280	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{3|C<4>,3|H<1>}	118.1400	0.000	1	118.1400	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	117.7480	0.000	1	117.7480	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.5250	0.000	1	115.2445	2.246	10	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.6150	0.000	1	115.2445	2.246	10	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	115.6082	0.633	5	115.2445	2.246	10	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	114.2960	2.454	2	115.2445	2.246	10	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{3|C<4>,4|H<1>}	112.6720	0.000	1	115.2445	2.246	10	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.8800	0.000	1	116.8800	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.7700	0.000	1	108.7700	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	110.6040	0.000	1	110.6040	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]P[5]CO)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	115.4340	0.000	1	115.4340	0.000	1	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	113.9780	3.229	2	113.9780	10.424	2	115.4510	11.309	55	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	120.3360	0.000	1	120.3360	0.000	1	115.9890	37.793	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.6420	0.000	1	111.6420	0.000	1	115.9890	37.793	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2{4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	120.0050	0.000	1	120.0050	0.000	1	119.8113	0.168	7	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	119.7790	0.439	6	119.7790	0.193	6	119.8113	0.168	7	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	119.6710	0.000	1	119.6710	0.000	1	116.3365	22.238	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{2|C<4>,5|H<1>}	113.0020	0.000	1	113.0020	0.000	1	116.3365	22.238	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	113.2942	0.589	24	113.2942	0.347	24	113.2942	0.347	24	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	112.5400	0.270	2	112.5400	0.073	2	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	115.0920	0.174	2	115.0920	0.030	2	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	114.4095	0.766	2	114.4095	0.586	2	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	114.2900	0.256	2	114.0852	0.557	6	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	113.9828	0.929	4	114.0852	0.557	6	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{3|C<4>,4|H<1>}	114.9313	0.882	3	114.9313	0.778	3	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	114.1340	0.000	1	114.1340	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{2|C<4>,5|H<1>}	113.6830	0.000	1	113.6830	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	114.5510	0.000	1	114.5510	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	118.3120	0.000	1	118.3120	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	118.7210	0.000	1	118.7210	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	117.7700	0.000	1	117.7700	0.000	1	114.7885	2.856	21	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	112.4620	1.741	2	112.4620	3.031	2	112.4620	3.031	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	P[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](P[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	C[5](C[5,6]P[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|S<1>,2|C<4>,4|H<1>}	116.8030	0.567	2	116.8030	0.322	2	116.8030	0.322	2	115.1867	9.555	189	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	112.8790	0.000	1	112.8790	0.000	1	115.1713	8.018	6	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	113.7430	0.293	2	113.7430	0.086	2	115.1713	8.018	6	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	113.0730	0.000	1	113.0730	0.000	1	115.1713	8.018	6	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	118.7630	0.000	1	118.7630	0.000	1	115.1713	8.018	6	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	118.8270	0.000	1	118.8270	0.000	1	115.1713	8.018	6	116.2782	20.021	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]H)(CCO)(H){1|C<4>,3|C<3>,3|H<1>}	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.3650	0.000	1	119.3650	0.000	1	119.9275	0.633	2	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.4900	0.000	1	120.4900	0.000	1	119.9275	0.633	2	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	113.8960	0.000	1	113.8960	0.000	1	114.8440	1.797	2	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	115.7920	0.000	1	115.7920	0.000	1	114.8440	1.797	2	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6]H)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	115.7490	0.000	1	115.7490	0.000	1	115.7490	0.000	1	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(H){1|Si<4>,2|C<4>,4|H<1>}	115.3490	0.000	1	115.3490	0.000	1	119.4067	8.989	6	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){3|C<4>,4|H<1>}	119.1900	0.000	1	119.1900	0.000	1	119.4067	8.989	6	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){3|C<4>,4|H<1>}	122.8695	0.573	2	122.8695	0.329	2	119.4067	8.989	6	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H)	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)(H){1|N<3>,2|C<4>,2|H<1>}	118.0810	0.779	2	118.0810	0.607	2	119.4067	8.989	6	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|H<1>,3|C<4>}	122.8230	0.000	1	122.8230	0.000	1	122.8230	0.000	1	118.0551	11.168	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	115.6925	17.428	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)(COO)2{2|C<3>,3|C<4>,4|H<1>}	119.2975	0.414	2	119.2975	0.171	2	119.2975	0.171	2	115.6925	17.428	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)2{1|C<4>,2|C<3>,3|H<1>}	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	115.6925	17.428	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	114.3070	0.000	1	113.2022	1.706	4	113.2022	1.706	4	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	112.8340	1.321	3	113.2022	1.706	4	113.2022	1.706	4	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	120.6003	0.526	4	120.6003	0.277	4	120.6003	0.277	4	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	114.4010	0.000	1	114.4010	0.000	1	117.8503	12.328	6	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	112.4660	0.000	1	112.4660	0.000	1	117.8503	12.328	6	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	120.4585	0.631	2	120.0588	0.414	4	117.8503	12.328	6	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	119.6590	0.453	2	120.0588	0.414	4	117.8503	12.328	6	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	111.3220	0.000	1	111.3220	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	122.3950	2.212	2	122.3950	4.892	2	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	117.2195	0.484	2	117.2195	0.235	2	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCO)(H){3|C<4>,4|H<1>}	124.2530	0.000	1	124.2530	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	121.6460	0.000	1	121.6460	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	118.6240	0.000	1	118.6240	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	117.6110	0.000	1	117.6110	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	113.5860	0.000	1	113.5860	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	117.5750	0.000	1	117.5750	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	114.0920	0.000	1	114.0920	0.000	1	118.1615	16.103	12	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]2O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	119.6620	0.523	6	119.6620	0.273	6	119.6996	0.175	11	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,6|H<1>}	119.7265	0.579	2	119.7448	0.093	5	119.6996	0.175	11	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	119.7570	0.130	3	119.7448	0.093	5	119.6996	0.175	11	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(SC[6a]OO)(H){3|C<4>,3|H<1>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	121.0010	0.000	1	121.0010	0.000	1	119.6755	3.514	2	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	118.3500	0.000	1	118.3500	0.000	1	119.6755	3.514	2	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	117.9790	13.600	45	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	114.5010	0.000	1	114.5010	0.000	1	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	114.8220	0.000	1	114.8220	0.000	1	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	114.2745	0.152	2	114.2745	0.023	2	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	115.1840	0.000	1	115.1840	0.000	1	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	114.4457	0.381	3	114.4457	0.145	3	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	114.3785	0.416	2	114.3785	0.173	2	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.2960	0.000	1	112.6674	0.509	7	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	113.4635	0.521	2	112.6674	0.509	7	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	112.3623	0.579	4	112.6674	0.509	7	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	112.6835	0.459	4	112.6835	0.210	4	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	115.3080	0.000	1	115.3080	0.000	1	113.6302	1.219	22	113.6302	1.219	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	117.4000	0.197	2	117.4000	0.039	2	117.4000	0.039	2	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	117.3250	0.000	1	117.3250	0.000	1	117.3250	0.000	1	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.9850	0.000	1	114.9850	0.000	1	115.6540	0.895	2	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	116.3230	0.000	1	116.3230	0.000	1	115.6540	0.895	2	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.5240	0.000	1	115.5240	0.000	1	117.8925	11.220	2	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2{3|C<4>,4|H<1>}	120.2610	0.000	1	120.2610	0.000	1	117.8925	11.220	2	117.4794	3.674	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.3860	0.000	1	120.3860	0.000	1	115.9862	11.244	5	115.9862	11.244	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	114.8863	2.632	4	114.8863	6.926	4	115.9862	11.244	5	115.9862	11.244	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	114.3709	1.582	7	114.3709	2.503	7	114.5270	1.854	10	114.5270	1.854	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	114.8913	0.741	3	114.8913	0.549	3	114.5270	1.854	10	114.5270	1.854	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	121.1160	0.000	1	121.1160	0.000	1	121.1160	0.000	1	121.1160	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[6]C)(H)2{1|Br<1>,1|O<2>,2|H<1>,4|C<4>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	117.2800	0.000	1	117.2800	0.000	1	119.0445	6.227	2	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	120.8090	0.000	1	120.8090	0.000	1	119.0445	6.227	2	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	110.7820	0.079	2	110.7820	0.006	2	111.1237	0.689	9	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	110.2020	0.000	1	110.2020	0.000	1	111.1237	0.689	9	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|O<2>,5|C<4>}	111.1290	0.000	1	111.3912	0.799	6	111.1237	0.689	9	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	111.4436	0.989	5	111.3912	0.799	6	111.1237	0.689	9	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	118.7330	0.000	1	118.7330	0.000	1	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.5870	0.262	2	112.5870	0.068	2	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	117.7020	0.000	1	117.7020	0.000	1	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	120.2360	0.000	1	120.2360	0.000	1	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	121.6620	0.000	1	121.6620	0.000	1	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	119.2650	0.000	1	119.2650	0.000	1	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	114.3035	0.223	2	114.3035	0.050	2	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	115.0235	0.603	2	115.0235	0.364	2	116.4933	9.979	11	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.6670	0.789	2	112.6670	0.623	2	112.2465	0.480	4	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	111.5920	0.000	1	111.5920	0.000	1	112.2465	0.480	4	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.0600	0.000	1	112.0600	0.000	1	112.2465	0.480	4	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	113.9890	11.427	31	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	119.3603	8.667	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:2:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	121.0600	0.000	2	121.0600	0.000	2	121.0600	0.000	2	119.3603	8.667	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCC)(H){1|O<2>,3|C<4>,3|H<1>}	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	121.1620	0.000	1	121.1620	0.000	1	120.5500	0.516	6	120.9984	1.555	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCO)(H){1|O<2>,3|C<4>,3|H<1>}	120.4276	0.730	5	120.4276	0.533	5	120.5500	0.516	6	120.9984	1.555	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	121.4130	1.390	2	121.4130	1.933	2	120.6623	0.464	14	120.9984	1.555	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,5|H<1>}	120.5372	0.503	12	120.5372	0.253	12	120.6623	0.464	14	120.9984	1.555	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	123.4640	1.512	3	123.4640	2.285	3	123.4640	2.285	3	120.9984	1.555	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	116.8840	0.000	1	116.8840	0.000	1	116.6480	0.111	2	117.0170	0.464	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	116.4120	0.000	1	116.4120	0.000	1	116.6480	0.111	2	117.0170	0.464	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	117.0170	0.464	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<2>,1|S<4>,2|C<4>,2|H<1>}	115.6765	2.449	2	115.6765	5.996	2	115.6765	5.996	2	115.6765	5.996	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:2:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<2>,2|C<4>}	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.3875	0.326	2	119.3875	0.106	2	119.3875	0.106	2	119.3875	0.106	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	115.5245	0.592	2	115.5245	0.350	2	115.1246	9.637	5	115.1246	9.637	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.8675	3.727	2	112.8675	13.892	2	115.1246	9.637	5	115.1246	9.637	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	118.8390	0.000	1	118.8390	0.000	1	115.1246	9.637	5	115.1246	9.637	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.4830	0.116	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	113.4830	0.116	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	113.1430	0.000	1	113.1430	0.000	1	117.0240	20.901	4	117.0240	20.901	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	115.6730	0.809	2	115.6730	0.654	2	117.0240	20.901	4	117.0240	20.901	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	123.6070	0.000	1	123.6070	0.000	1	117.0240	20.901	4	117.0240	20.901	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	123.5010	0.000	1	123.5010	0.000	1	123.5010	0.000	1	123.5010	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:N[5]-3:C-3:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.2980	1.942	2	120.2980	3.770	2	120.2980	3.770	2	120.2980	3.770	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.9110	0.000	1	116.9110	0.000	1	116.9110	0.000	1	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	120.4540	0.000	1	120.4540	0.000	1	118.9233	9.483	7	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	119.8225	0.234	2	119.8225	0.055	2	118.9233	9.483	7	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	119.1430	0.000	1	119.1430	0.000	1	118.9233	9.483	7	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.1270	0.000	1	112.1270	0.000	1	118.9233	9.483	7	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	120.5470	1.172	2	120.5470	1.374	2	118.9233	9.483	7	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.7095	1.418	2	113.0351	0.707	7	113.1653	0.741	8	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.1470	0.000	1	113.0351	0.707	7	113.1653	0.741	8	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.9200	0.400	4	113.0351	0.707	7	113.1653	0.741	8	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.0760	0.000	1	114.0760	0.000	1	113.1653	0.741	8	115.8303	12.251	19	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	112.2375	0.156	2	112.2375	0.024	2	112.2375	0.024	2	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	120.3925	0.587	4	120.3925	0.345	4	120.3925	0.345	4	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	117.7730	0.000	1	117.7730	0.000	1	118.9913	31.932	3	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	125.1520	0.000	1	119.6005	61.638	2	118.9913	31.932	3	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	114.0490	0.000	1	119.6005	61.638	2	118.9913	31.932	3	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.8850	0.000	1	112.8850	0.000	1	117.8155	48.620	2	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.7460	0.000	1	122.7460	0.000	1	117.8155	48.620	2	118.0591	20.583	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.8850	0.343	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	109.8850	0.343	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.4214	0.585	8	122.4214	0.342	8	122.4214	0.342	8	122.4214	0.342	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.6975	3.180	2	111.7850	16.029	3	111.7850	16.029	3	114.5232	24.376	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<4>}	107.9600	0.000	1	111.7850	16.029	3	111.7850	16.029	3	114.5232	24.376	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<1>,2|H<1>,3|C<4>}	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	114.5232	24.376	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	114.5232	24.376	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	112.4550	0.322	2	112.4550	0.104	2	112.4550	0.104	2	112.4550	0.104	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	115.0080	0.000	1	112.7160	5.510	3	112.7160	5.510	3	112.7160	5.510	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	112.8230	0.000	1	112.7160	5.510	3	112.7160	5.510	3	112.7160	5.510	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	110.3170	0.000	1	112.7160	5.510	3	112.7160	5.510	3	112.7160	5.510	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	113.5955	1.917	2	112.9423	1.928	4	114.9476	21.553	5	114.9476	21.553	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	112.2890	0.635	2	112.9423	1.928	4	114.9476	21.553	5	114.9476	21.553	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	122.9690	0.000	1	122.9690	0.000	1	114.9476	21.553	5	114.9476	21.553	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO){1|O<2>,2|H<1>,4|C<4>}	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	112.3940	18.422	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	109.3195	0.402	2	109.3195	0.162	2	109.3195	0.162	2	112.3940	18.422	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	118.4090	0.000	1	118.4090	0.000	1	118.4090	0.000	1	112.3940	18.422	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	117.2570	0.624	2	117.2570	0.389	2	117.2570	0.389	2	119.9395	9.805	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCO)(H){2|H<1>,3|C<4>}	122.9710	0.000	1	122.9710	0.000	1	122.6220	0.244	2	119.9395	9.805	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(COO)(H){2|H<1>,3|C<4>}	122.2730	0.000	1	122.2730	0.000	1	122.6220	0.244	2	119.9395	9.805	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.0153	0.759	3	114.1873	0.502	4	114.1338	0.391	5	114.1338	0.391	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	114.7030	0.000	1	114.1873	0.502	4	114.1338	0.391	5	114.1338	0.391	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	113.9200	0.000	1	113.9200	0.000	1	114.1338	0.391	5	114.1338	0.391	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:3:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	121.9310	0.000	1	121.9310	0.000	1	119.4640	12.172	2	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	116.9970	0.000	1	116.9970	0.000	1	119.4640	12.172	2	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	115.6035	1.597	2	115.6035	2.552	2	115.6035	2.552	2	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	118.5000	0.000	1	118.5000	0.000	1	118.5000	0.000	1	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	118.7810	0.000	1	118.7810	0.000	1	117.0100	4.792	4	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<2>,2|H<1>,3|C<3>,3|C<4>}	115.2650	0.000	1	115.2650	0.000	1	117.0100	4.792	4	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	119.0210	0.000	1	119.0210	0.000	1	117.0100	4.792	4	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.9730	0.000	1	114.9730	0.000	1	117.0100	4.792	4	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	117.7017	0.310	3	117.7017	0.096	3	117.7017	0.096	3	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|S<4>,5|C<4>}	113.5250	0.000	1	113.5250	0.000	1	113.5250	0.000	1	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.1480	0.000	2	112.1480	0.000	2	112.1480	0.000	2	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	116.2197	7.835	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	120.0110	0.000	1	120.0110	0.000	1	119.5229	0.855	7	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	120.3070	0.140	2	120.3070	0.020	2	119.5229	0.855	7	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	119.0088	0.928	4	119.0088	0.862	4	119.5229	0.855	7	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	113.4290	0.000	1	113.4290	0.000	1	112.4430	1.944	2	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	111.4570	0.000	1	111.4570	0.000	1	112.4430	1.944	2	118.1837	9.998	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	117.5470	0.000	1	117.5470	0.000	1	117.7745	0.104	2	117.7745	0.104	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	118.0020	0.000	1	118.0020	0.000	1	117.7745	0.104	2	117.7745	0.104	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3){1|O<2>,2|C<4>,4|H<1>}	123.8660	0.000	2	123.8660	0.000	2	123.8660	0.000	2	123.8660	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	3:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.9510	0.000	1	118.9510	0.000	1	118.9510	0.000	1	118.9510	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:2:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	116.5535	3.188	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	116.5535	3.188	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:2:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	112.2350	0.000	1	112.2350	0.000	1	116.9972	7.702	5	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	118.9165	0.183	2	118.9165	0.034	2	116.9972	7.702	5	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	117.0710	0.000	1	117.0710	0.000	1	116.9972	7.702	5	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	117.8470	0.000	1	117.8470	0.000	1	116.9972	7.702	5	116.4140	12.196	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	113.8637	0.126	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	114.2350	0.000	1	114.2350	0.000	1	114.0320	0.082	2	113.8637	0.126	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	113.8290	0.000	1	113.8290	0.000	1	114.0320	0.082	2	113.8637	0.126	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	117.9490	0.000	1	117.9490	0.000	1	118.4350	0.472	2	118.4350	0.472	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,4|H<1>,5|C<4>}	118.9210	0.000	1	118.9210	0.000	1	118.4350	0.472	2	118.4350	0.472	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	122.1640	0.000	1	122.9090	1.110	2	122.9090	1.110	2	119.4553	36.338	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	123.6540	0.000	1	122.9090	1.110	2	122.9090	1.110	2	119.4553	36.338	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	119.4553	36.338	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,5|C<4>}	122.5920	0.000	1	122.5920	0.000	1	122.5920	0.000	1	122.5920	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	112.1520	0.000	1	113.0073	0.863	3	112.8183	0.545	6	112.8183	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	113.4350	0.793	2	113.0073	0.863	3	112.8183	0.545	6	112.8183	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	112.7130	0.000	1	112.7130	0.000	1	112.8183	0.545	6	112.8183	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	112.5875	0.879	2	112.5875	0.773	2	112.8183	0.545	6	112.8183	0.545	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:2:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<1>,4|C<4>}	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:B[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(B[5]O[5]O)(H)2{5|C<4>}	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	118.5416	15.226	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(H)2{6|C<4>}	123.5250	0.000	1	123.5250	0.000	1	117.9137	14.959	6	118.5416	15.226	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)2{1|H<1>,6|C<4>}	119.9735	0.518	2	119.9735	0.269	2	117.9137	14.959	6	118.5416	15.226	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,4|C<4>}	113.9820	0.387	2	113.9820	0.150	2	117.9137	14.959	6	118.5416	15.226	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(H)2{2|C<3>,3|C<4>}	116.0460	0.000	1	116.0460	0.000	1	117.9137	14.959	6	118.5416	15.226	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	122.7250	0.000	1	122.7250	0.000	1	122.6555	0.010	2	122.6555	0.010	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	122.5860	0.000	1	122.5860	0.000	1	122.6555	0.010	2	122.6555	0.010	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	126.9070	0.000	1	126.9070	0.000	1	126.9070	0.000	1	126.9070	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	115.3410	0.000	1	115.3410	0.000	1	114.3775	1.857	2	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	113.4140	0.000	1	113.4140	0.000	1	114.3775	1.857	2	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,6|C<4>}	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	119.7845	1.261	2	119.7845	1.590	2	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(H)2{1|C<3>,6|C<4>}	119.2180	0.000	1	119.2180	0.000	1	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	117.2990	0.225	2	117.2990	0.051	2	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,6|C<4>}	112.5050	0.000	1	112.5050	0.000	1	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	120.5200	0.000	1	120.5200	0.000	1	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	119.8730	0.000	1	119.8730	0.000	1	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{1|C<2>,5|C<4>}	120.9740	0.000	1	120.9740	0.000	1	118.5841	7.038	9	117.4354	9.688	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	116.5050	0.000	1	116.9906	3.410	5	116.9906	3.410	5	116.9315	2.749	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	115.3770	0.000	1	116.9906	3.410	5	116.9906	3.410	5	116.9315	2.749	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	116.1270	0.000	1	116.9906	3.410	5	116.9906	3.410	5	116.9315	2.749	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	118.4720	2.380	2	116.9906	3.410	5	116.9906	3.410	5	116.9315	2.749	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	116.9315	2.749	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|P<4>,4|H<1>,5|C<4>}	116.9550	0.064	2	116.9550	0.004	2	116.9550	0.004	2	116.9550	0.004	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.7350	0.000	1	119.7350	0.000	1	119.7350	0.000	1	119.7350	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	3:4:2:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	3:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	116.0575	0.962	2	116.0575	0.926	2	116.0575	0.926	2	116.0575	0.926	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	3:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5a,6]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	113.4140	2.237	2	113.4140	5.005	2	113.4140	5.005	2	113.4140	5.005	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:2:4:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	109.6350	0.564	2	110.0406	0.291	5	110.0406	0.291	5	110.0406	0.291	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.0650	0.000	1	110.0406	0.291	5	110.0406	0.291	5	110.0406	0.291	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	110.4340	0.455	2	110.0406	0.291	5	110.0406	0.291	5	110.0406	0.291	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5,6]C[6]O)(H)2{1|C<4>,2|O<2>,3|C<3>,5|H<1>}	113.3200	0.717	2	113.3200	0.514	2	113.3200	0.514	2	113.3200	0.514	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	112.5700	0.000	1	112.3905	0.064	2	112.3905	0.064	2	112.3905	0.064	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	112.2110	0.000	1	112.3905	0.064	2	112.3905	0.064	2	112.3905	0.064	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	108.6980	0.000	1	108.6980	0.000	1	114.1325	15.708	4	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.5790	2.308	2	115.9440	3.873	3	114.1325	15.708	4	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.6740	0.000	1	115.9440	3.873	3	114.1325	15.708	4	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.4700	0.820	2	116.4700	0.673	2	118.1658	15.831	5	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.3810	0.000	1	113.3810	0.000	1	118.1658	15.831	5	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	122.2540	0.759	2	122.2540	0.577	2	118.1658	15.831	5	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	116.5475	16.592	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	116.1047	11.981	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	116.1047	11.981	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	116.6460	0.000	2	116.5015	0.028	4	116.5015	0.028	4	116.1047	11.981	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	116.3570	0.000	2	116.5015	0.028	4	116.5015	0.028	4	116.1047	11.981	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3x5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{2|C<3>,2|O<2>,4|H<1>,5|C<4>}	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.9470	1.078	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	118.9470	1.078	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:3:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	112.7980	0.338	2	112.7980	0.114	2	112.7980	0.114	2	112.7980	0.114	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.2400	0.000	1	112.2400	0.000	1	113.2640	0.840	3	112.8388	1.283	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	113.7760	0.327	2	113.7760	0.107	2	113.2640	0.840	3	112.8388	1.283	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	112.8388	1.283	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	110.7370	0.000	1	110.7370	0.000	1	111.7043	0.702	3	111.7043	0.702	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	112.1880	0.000	2	112.1880	0.000	2	111.7043	0.702	3	111.7043	0.702	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	117.6810	0.000	1	117.6810	0.000	1	117.6810	0.000	1	112.7930	8.168	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,4|H<1>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	112.7930	8.168	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.7930	8.168	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]HH)2(S[5]P[5]){1|C<4>,1|O<2>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	111.3700	1.068	2	111.3700	1.140	2	111.3700	1.140	2	112.7930	8.168	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2{2|C<4>,4|H<1>}	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2{2|C<4>,4|H<1>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	114.6310	0.000	1	114.6310	0.000	1	114.2865	0.237	2	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	113.9420	0.000	1	113.9420	0.000	1	114.2865	0.237	2	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	113.5257	1.781	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	116.2740	0.417	2	116.2740	0.174	2	116.2740	0.174	2	116.2740	0.174	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(H){2|C<3>,3|H<1>,3|O<2>,5|C<4>}	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	118.3560	7.801	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	116.3810	0.000	1	116.3810	0.000	1	116.3810	0.000	1	118.3560	7.801	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	115.6155	0.616	2	115.6155	0.379	2	115.6155	0.379	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	114.6500	0.000	1	114.6500	0.000	1	114.0393	2.073	3	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	115.0730	0.000	1	115.0730	0.000	1	114.0393	2.073	3	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.3950	0.000	1	112.3950	0.000	1	114.0393	2.073	3	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.0310	0.000	1	110.0310	0.000	1	109.8870	0.041	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.8870	0.041	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.3200	0.000	1	113.3200	0.000	1	112.5633	0.845	3	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	112.1850	0.912	2	112.1850	0.832	2	112.5633	0.845	3	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	110.3140	0.000	1	110.3140	0.000	1	110.3140	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	117.5670	0.000	1	117.5670	0.000	1	119.3683	17.302	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	114.0780	0.000	1	114.0780	0.000	1	119.3683	17.302	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	123.1045	0.107	2	123.1045	0.011	2	119.3683	17.302	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	122.8710	0.000	1	122.8710	0.000	1	119.3683	17.302	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6a]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.4850	0.000	1	115.4850	0.000	1	119.3683	17.302	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.8330	0.448	2	112.8330	0.201	2	112.8330	0.201	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a]){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]N[5]HH)(H)2{2|C<4>,4|H<1>}	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.3255	0.302	2	112.3255	0.091	2	112.3255	0.091	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.8840	0.000	1	111.8840	0.000	1	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	112.4615	0.226	2	112.4615	0.051	2	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	114.8150	0.000	1	114.8150	0.000	1	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	115.1060	0.242	2	115.1060	0.058	2	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,5|H<1>}	112.8555	0.374	2	112.8555	0.140	2	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)(H)2{2|C<3>,3|C<4>,6|H<1>}	113.2165	0.438	2	113.2165	0.192	2	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5]){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]O[5]CC)(H)2{2|C<4>,4|H<1>}	113.4360	1.203	2	113.4360	1.448	2	113.4042	1.312	12	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	112.8705	0.306	2	112.8705	0.094	2	112.8705	0.094	2	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	114.2230	0.000	1	114.2230	0.000	1	114.2230	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	115.4400	0.093	6	115.4400	0.009	6	115.4400	0.009	6	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2	C[5,6](C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	114.9650	0.845	6	114.9650	0.713	6	114.3266	1.944	8	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	112.4115	0.514	2	112.4115	0.264	2	114.3266	1.944	8	114.0700	7.918	54	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	112.2410	0.000	1	112.2410	0.000	1	112.7514	20.406	5	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	107.1310	0.000	1	107.1310	0.000	1	112.7514	20.406	5	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	109.8190	0.000	1	109.8190	0.000	1	112.7514	20.406	5	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	117.2830	0.325	2	117.2830	0.106	2	112.7514	20.406	5	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	111.0390	0.000	1	111.0390	0.000	1	113.7925	15.164	2	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	116.5460	0.000	1	116.5460	0.000	1	113.7925	15.164	2	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	114.5870	0.000	1	114.5870	0.000	1	116.3657	2.373	3	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	117.2550	0.000	2	117.2550	0.000	2	116.3657	2.373	3	114.0439	14.021	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCH)(H){2|C<4>,5|H<1>}	117.4160	0.000	1	117.4160	0.000	1	117.4160	0.000	1	110.7708	14.884	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]CH)(NOO)(H){1|C<3>,1|C<4>,5|H<1>}	108.0940	0.000	2	108.0940	0.000	2	109.1095	1.445	4	110.7708	14.884	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	110.1250	0.460	2	110.1250	0.211	2	109.1095	1.445	4	110.7708	14.884	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a]){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	112.8760	0.516	2	112.8760	0.266	2	112.8760	0.266	2	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:F-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.1480	0.000	1	114.1480	0.000	1	112.9200	3.016	2	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	111.6920	0.000	1	111.6920	0.000	1	112.9200	3.016	2	113.0906	1.199	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	112.9840	0.000	1	112.9840	0.000	1	113.5089	0.686	9	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	112.5570	1.259	2	113.6051	0.854	7	113.5089	0.686	9	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	114.0800	0.000	1	113.6051	0.854	7	113.5089	0.686	9	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	114.0105	0.392	4	113.6051	0.854	7	113.5089	0.686	9	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	113.3600	0.000	1	113.3600	0.000	1	113.5089	0.686	9	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	113.5628	0.639	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	119.1417	0.493	3	119.6880	1.356	4	119.7784	1.058	5	119.7784	1.058	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.3270	0.000	1	119.6880	1.356	4	119.7784	1.058	5	119.7784	1.058	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.1400	0.000	1	120.1400	0.000	1	119.7784	1.058	5	119.7784	1.058	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	116.3963	1.114	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	117.4360	0.000	1	117.4360	0.000	1	117.4360	0.000	1	116.3963	1.114	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	116.3963	1.114	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:4:1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.4802	0.960	6	108.4802	0.922	6	108.4802	0.922	6	108.4802	0.922	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	111.0173	1.511	3	111.0173	2.282	3	110.8794	1.162	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]H)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	111.1060	0.707	3	111.1060	0.500	3	110.8794	1.162	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[5,6,6]O)(C[5,6]C[5,6]C[6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	109.7860	0.000	1	109.7860	0.000	1	110.8794	1.162	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	120.2660	0.000	1	120.2660	0.000	1	118.6831	1.012	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(H)2{2|C<4>,2|O<2>,3|H<1>}	118.4340	0.000	1	118.4340	0.000	1	118.6831	1.012	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	118.7980	1.274	2	118.7980	1.624	2	118.6831	1.012	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	117.3290	0.000	1	118.1620	0.521	3	118.6831	1.012	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5785	0.016	2	118.1620	0.521	3	118.6831	1.012	7	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	115.4190	0.000	1	115.4190	0.000	1	115.4190	0.000	1	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.6790	0.000	1	110.6790	0.000	1	112.2818	2.474	4	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	111.1840	0.000	1	112.8160	1.998	3	112.2818	2.474	4	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.6320	0.040	2	112.8160	1.998	3	112.2818	2.474	4	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	117.2680	0.349	3	117.2680	0.122	3	117.2680	0.122	3	114.7370	12.661	23	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	115.5490	19.564	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	115.5490	19.564	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	112.3307	0.519	3	112.3307	0.270	3	112.3307	0.270	3	115.5490	19.564	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.1310	0.000	1	110.1310	0.000	1	110.2062	1.610	5	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.9260	0.000	1	108.9260	0.000	1	110.2062	1.610	5	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.4090	0.000	1	111.4090	0.000	1	110.2062	1.610	5	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.9910	0.000	1	108.9910	0.000	1	110.2062	1.610	5	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.5740	0.000	1	111.5740	0.000	1	110.2062	1.610	5	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	110.5625	0.657	2	110.3353	0.167	7	110.3353	0.167	7	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	110.2444	0.327	5	110.3353	0.167	7	110.3353	0.167	7	110.2815	0.681	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:3:2:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.2755	0.284	2	120.2755	0.080	2	120.2755	0.080	2	120.2755	0.080	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,2|C<3>,6|C<4>}	107.5493	0.399	3	107.5493	0.159	3	107.7477	0.263	4	108.5326	3.277	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|H<1>,7|C<4>}	108.3430	0.000	1	108.3430	0.000	1	107.7477	0.263	4	108.5326	3.277	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(H)2{1|H<1>,7|C<4>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	108.5326	3.277	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	115.1340	0.000	1	115.1340	0.000	1	114.6960	0.384	2	114.6960	0.384	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	114.2580	0.000	1	114.2580	0.000	1	114.6960	0.384	2	114.6960	0.384	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	115.3250	0.824	2	115.4440	0.476	4	115.4440	0.476	4	114.2952	5.802	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	115.5630	0.832	2	115.4440	0.476	4	115.4440	0.476	4	114.2952	5.802	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	109.5740	0.000	1	109.5740	0.000	1	111.9975	11.747	2	114.2952	5.802	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.4210	0.000	1	114.4210	0.000	1	111.9975	11.747	2	114.2952	5.802	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|O<2>,5|C<4>}	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.5017	2.986	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{2|O<2>,6|C<4>}	112.6560	0.000	1	112.6560	0.000	1	114.3685	5.865	2	114.5017	2.986	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	116.0810	0.000	1	116.0810	0.000	1	114.3685	5.865	2	114.5017	2.986	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	112.2034	24.857	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	109.0710	0.000	2	110.0140	1.186	4	110.0140	1.186	4	112.2034	24.857	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	110.9570	0.000	2	110.0140	1.186	4	110.0140	1.186	4	112.2034	24.857	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:2:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	111.6427	12.656	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	113.6965	0.059	2	113.6965	0.003	2	113.6965	0.003	2	111.6427	12.656	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	110.7275	1.790	2	110.8280	1.632	3	110.8280	1.632	3	111.2498	1.164	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	111.0290	0.000	1	110.8280	1.632	3	110.8280	1.632	3	111.2498	1.164	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	111.7150	0.000	1	111.8825	0.056	2	111.8825	0.056	2	111.2498	1.164	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	112.0500	0.000	1	111.8825	0.056	2	111.8825	0.056	2	111.2498	1.164	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	112.3730	0.000	1	112.3730	0.000	1	112.3955	0.001	2	112.3955	0.001	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	112.4180	0.000	1	112.4180	0.000	1	112.3955	0.001	2	112.3955	0.001	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	111.3931	0.714	7	111.3931	0.510	7	111.3931	0.510	7	112.0597	2.394	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	112.0597	2.394	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.7275	0.835	2	114.7275	0.697	2	114.7275	0.697	2	112.0597	2.394	10	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.2270	0.129	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]N)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.2270	0.129	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	112.9190	0.000	1	114.7843	6.362	3	114.7843	6.362	3	114.0955	3.992	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	115.7170	2.739	2	114.7843	6.362	3	114.7843	6.362	3	114.0955	3.992	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	113.4067	1.481	3	113.4067	2.195	3	113.4067	2.195	3	114.0955	3.992	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[4]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:2:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]N)(C[5]C[5,5]O)(H)2{1|H<1>,3|C<4>,3|O<2>}	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:2:4:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]O[6]CH)(C[6]O[6]HH)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	109.0797	0.404	3	109.0797	0.164	3	109.0797	0.164	3	110.0221	1.086	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	110.3760	0.123	3	110.3760	0.015	3	110.3760	0.015	3	110.0221	1.086	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	110.0221	1.086	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	112.7040	0.000	1	113.0430	0.230	2	113.0430	0.230	2	113.0430	0.230	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	113.3820	0.000	1	113.0430	0.230	2	113.0430	0.230	2	113.0430	0.230	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	108.9040	0.000	1	108.5450	0.258	2	108.5450	0.258	2	108.5450	0.258	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	108.1860	0.000	1	108.5450	0.258	2	108.5450	0.258	2	108.5450	0.258	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:3:3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	114.5705	1.096	4	114.5705	1.200	4	114.5705	1.200	4	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	111.8315	0.185	2	111.8315	0.034	2	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	113.9874	0.766	11	113.7569	0.682	15	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.9300	0.000	1	113.7569	0.682	15	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	112.7090	0.239	2	113.7569	0.682	15	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	114.1450	0.000	1	113.7569	0.682	15	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	112.6330	0.000	1	112.6330	0.000	1	113.4806	0.993	18	113.6787	1.161	22	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:B[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2)	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]B[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	112.4045	1.667	2	112.4045	2.778	2	112.4045	2.778	2	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	116.8683	0.416	3	116.8683	0.173	3	116.8683	0.173	3	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	111.6800	0.000	1	111.6800	0.000	1	111.6765	0.044	4	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	111.3800	0.000	1	111.3800	0.000	1	111.6765	0.044	4	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	111.8230	0.014	2	111.8230	0.000	2	111.6765	0.044	4	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	113.5610	0.000	1	113.5610	0.000	1	112.6440	1.682	2	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	111.7270	0.000	1	111.7270	0.000	1	112.6440	1.682	2	113.1674	5.092	16	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	111.4420	0.000	1	111.4420	0.000	1	111.4445	0.000	2	111.2908	0.795	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	111.4470	0.000	1	111.4470	0.000	1	111.4445	0.000	2	111.2908	0.795	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.1370	1.513	2	111.1370	2.290	2	111.1370	2.290	2	111.2908	0.795	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	113.4420	1.489	2	113.4497	0.324	9	113.4497	0.324	9	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	113.4047	0.236	6	113.4497	0.324	9	113.4497	0.324	9	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	113.7350	0.000	1	113.4497	0.324	9	113.4497	0.324	9	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	114.3520	0.000	1	113.2356	0.580	5	113.2356	0.580	5	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	112.9565	0.504	4	113.2356	0.580	5	113.2356	0.580	5	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	113.3960	0.000	1	113.5465	0.045	2	113.5465	0.045	2	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	113.6970	0.000	1	113.5465	0.045	2	113.5465	0.045	2	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	113.5022	0.487	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:3:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.0023	0.499	7	111.0023	0.249	7	111.0023	0.249	7	112.3167	4.473	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]O[6]H)(C[5]C[5]HH)2(C[6]C[6]O){1|I<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,5|H<1>}	113.4265	2.057	2	113.4265	4.231	2	113.4265	4.231	2	112.3167	4.473	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|S<2>,3|C<3>}	115.8075	0.284	2	115.8075	0.080	2	115.8075	0.080	2	112.3167	4.473	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:3:2:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	114.4760	0.000	1	114.4760	0.000	1	113.9690	0.514	2	113.2313	1.890	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	113.4620	0.000	1	113.4620	0.000	1	113.9690	0.514	2	113.2313	1.890	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	113.2313	1.890	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:3:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	110.2825	0.088	2	110.2825	0.008	2	110.2825	0.008	2	110.2825	0.008	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-2:C-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2{3|C<4>,4|H<1>}	111.8930	0.403	2	111.8930	0.162	2	111.8930	0.162	2	111.8930	0.162	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:3:3:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:3:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	113.9620	0.000	1	113.9620	0.000	1	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	113.2536	0.208	8	113.2536	0.043	8	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{3|C<4>,4|H<1>}	113.0603	0.425	3	113.0603	0.181	3	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2{3|C<4>,4|H<1>}	112.5205	0.026	2	112.5205	0.001	2	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	113.5600	0.000	1	113.5600	0.000	1	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	112.6950	0.000	1	112.6950	0.000	1	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{1|C<3>,2|C<4>,4|H<1>}	113.5950	0.000	1	113.5950	0.000	1	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.2103	0.180	18	113.2103	0.180	18	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.8120	0.000	1	107.8120	0.000	1	108.1223	0.258	3	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	108.7090	0.000	1	108.2775	0.372	2	108.1223	0.258	3	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	107.8460	0.000	1	108.2775	0.372	2	108.1223	0.258	3	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	109.7740	0.000	2	109.7740	0.000	2	110.1143	0.347	3	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.7950	0.000	1	110.7950	0.000	1	110.1143	0.347	3	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]Br){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|Br<1>,2|C<4>,5|H<1>}	112.0925	1.114	2	112.0925	1.240	2	112.2318	2.080	4	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	112.3710	2.219	2	112.3710	4.924	2	112.2318	2.080	4	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	110.5860	4.211	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	115.5415	3.871	2	115.5415	14.988	2	115.5415	14.988	2	113.9888	8.211	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H)	C[5,6](C[5]C[5]HH)(C[5]C[5]HN)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(NHS)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	112.4360	0.000	2	112.4360	0.000	2	112.4360	0.000	2	113.9888	8.211	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	112.3750	0.000	1	114.1013	6.925	3	114.1013	6.925	3	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	114.9645	3.062	2	114.1013	6.925	3	114.1013	6.925	3	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	113.9660	0.595	2	113.9660	0.354	2	113.1527	2.162	3	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	111.5260	0.000	1	111.5260	0.000	1	113.1527	2.162	3	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	112.6805	3.242	2	112.6805	10.511	2	112.6805	10.511	2	112.9841	5.408	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	112.2070	0.000	1	112.2070	0.000	1	112.9915	1.231	2	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<2>,2|C<4>,4|H<1>}	113.7760	0.000	1	113.7760	0.000	1	112.9915	1.231	2	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	111.2085	1.240	2	111.2085	1.537	2	111.2085	1.537	2	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	108.7025	0.088	2	108.7025	0.008	2	113.4429	19.199	9	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	110.4210	0.000	1	110.4210	0.000	1	113.4429	19.199	9	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.6575	0.523	2	110.6575	0.273	2	113.4429	19.199	9	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	117.6165	0.165	2	117.6165	0.027	2	113.4429	19.199	9	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	118.3060	1.247	2	118.3060	1.556	2	113.4429	19.199	9	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CC)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|N<3>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	111.8650	0.000	1	111.8650	0.000	1	112.0400	0.731	3	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	112.1275	1.190	2	112.1275	1.416	2	112.0400	0.731	3	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	110.6410	0.127	2	110.6410	0.016	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	110.5765	1.255	2	110.5765	1.575	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	106.8140	1.755	4	107.0714	2.642	5	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	108.1010	0.000	1	107.0714	2.642	5	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	112.8880	0.000	1	112.8880	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,3|C<4>,3|H<1>}	110.1060	0.000	1	110.1060	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,3|C<4>,3|H<1>}	109.3480	0.000	1	109.3480	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.0074	0.514	7	112.0074	0.265	7	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.6470	0.000	1	113.6470	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	114.8180	0.000	1	114.8180	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	110.7120	0.000	1	110.7120	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	116.7405	0.351	2	116.7405	0.124	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,6|H<1>}	113.8040	0.000	1	113.8040	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,6|H<1>}	109.9940	0.000	1	109.9940	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	114.6020	0.000	1	114.6020	0.000	1	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|As<2>,1|C<3>,2|C<4>,4|H<1>}	111.1817	0.720	4	111.1817	0.519	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<2>,1|C<3>,2|C<4>,4|H<1>}	111.8450	1.069	2	112.3773	1.672	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Be){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Be<3>,1|C<3>,2|C<4>,4|H<1>}	112.9095	1.655	2	112.3773	1.672	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.5418	1.787	12	111.5418	3.193	12	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	112.4450	0.775	2	112.4450	0.601	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ge<2>,1|C<3>,2|C<4>,4|H<1>}	111.2202	0.993	6	111.2202	0.987	6	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	113.4082	0.615	4	113.4082	0.378	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<3>,1|C<3>,2|C<4>,4|H<1>}	112.3260	1.455	2	112.1902	1.311	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ni){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,2|C<4>,4|H<1>}	112.0545	1.320	2	112.1902	1.311	4	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.8005	4.074	2	113.8005	16.595	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<2>,2|C<4>,4|H<1>}	111.3964	1.187	8	111.5016	1.246	10	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,2|C<4>,4|H<1>}	111.9225	0.950	2	111.5016	1.246	10	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|S<1>,2|C<4>,4|H<1>}	111.9040	1.723	2	111.9040	2.967	2	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<2>,1|C<3>,2|C<4>,4|H<1>}	110.7105	0.625	4	111.2314	1.366	8	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	111.7523	1.440	4	111.2314	1.366	8	111.6337	4.031	85	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	110.8780	0.000	1	110.8780	0.000	1	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	112.0280	0.000	1	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	110.7583	0.442	4	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	111.5050	0.000	1	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	111.3290	0.000	1	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	110.2140	1.236	2	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	111.1008	0.216	6	110.9952	0.378	15	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	111.3650	1.389	2	111.3650	1.929	2	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	112.7470	0.000	1	112.7470	0.000	1	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	111.5330	0.000	1	111.5330	0.000	1	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	110.7947	0.403	3	110.9788	0.244	4	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	111.5310	0.000	1	110.9788	0.244	4	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	111.0773	0.755	3	111.1480	0.400	4	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{3|C<4>,6|H<1>}	111.3600	0.000	1	111.1480	0.400	4	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HN)(H)2{1|O<1>,2|C<4>,5|H<1>}	112.1300	0.397	2	112.1300	0.158	2	111.1861	0.501	30	111.6910	4.366	134	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	114.7930	0.134	2	114.7930	0.018	2	114.7930	0.018	2	112.9232	8.970	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	110.3260	0.000	1	110.3260	0.000	1	112.0155	11.383	4	112.9232	8.970	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.4515	4.767	2	112.5787	15.172	3	112.0155	11.383	4	112.9232	8.970	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	114.8330	0.000	1	112.5787	15.172	3	112.0155	11.383	4	112.9232	8.970	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S-2:H-1:	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H)	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(SC[6a])(H){1|C<3>,2|C<4>,6|H<1>}	112.8690	4.281	2	112.8690	18.325	2	112.8690	18.325	2	112.9232	8.970	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,9|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.6180	0.000	1	115.2900	5.591	2	117.0491	2.784	7	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	116.9620	0.000	1	115.2900	5.591	2	117.0491	2.784	7	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.4730	0.000	1	117.7625	0.816	4	117.0491	2.784	7	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	118.1923	0.340	3	117.7625	0.816	4	117.0491	2.784	7	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	117.7140	0.000	1	117.7140	0.000	1	117.0491	2.784	7	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)2(C[5]C[5]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	111.9125	1.534	2	111.9125	2.352	2	111.9125	2.352	2	115.0281	9.902	11	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,3|C<4>}	113.7580	0.000	1	113.7580	0.000	1	113.5670	0.032	3	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,1|C<3>,2|C<4>}	113.4010	0.000	1	113.4715	0.010	2	113.5670	0.032	3	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,3|C<4>}	113.5420	0.000	1	113.4715	0.010	2	113.5670	0.032	3	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[4]-4:C[4]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6]){12|H<1>,5|C<4>}	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	113.6270	0.000	1	113.6270	0.000	1	112.7920	1.394	2	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)2(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	111.9570	0.000	1	111.9570	0.000	1	112.7920	1.394	2	113.7257	1.251	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:2:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	112.8955	0.056	2	112.8955	0.003	2	112.8955	0.003	2	111.9503	2.682	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<2>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	111.9503	2.682	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	110.5790	0.106	2	110.5790	0.011	2	110.5790	0.011	2	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.5205	1.340	2	109.5205	1.796	2	109.5205	1.796	2	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	110.3970	0.000	1	110.3970	0.000	1	111.7250	3.527	2	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.0530	0.000	1	113.0530	0.000	1	111.7250	3.527	2	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	111.5650	3.480	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	112.6085	1.702	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	112.6085	1.702	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)2{1|O<1>,3|C<4>,4|H<1>}	112.6340	0.000	1	112.6340	0.000	1	112.2920	0.234	2	111.8960	0.587	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.9500	0.000	1	111.9500	0.000	1	112.2920	0.234	2	111.8960	0.587	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.8960	0.587	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	109.6070	0.000	1	109.6070	0.000	1	114.7276	8.409	5	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	116.0078	0.536	4	116.0078	0.287	4	114.7276	8.409	5	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	117.9335	0.525	2	117.9335	0.276	2	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	115.2430	0.370	4	114.5776	2.316	5	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	111.9160	0.000	1	114.5776	2.316	5	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	110.3520	0.000	1	110.3520	0.000	1	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ga<4>,1|C<3>,3|C<4>,3|H<1>}	107.1550	0.000	1	107.1550	0.000	1	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ni){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Ni<4>,1|C<3>,3|C<4>,3|H<1>}	106.8050	0.000	1	106.8050	0.000	1	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	110.6760	0.000	1	110.6760	0.000	1	113.0675	15.557	11	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	109.9830	0.310	4	109.8786	0.364	12	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	110.7660	0.936	2	109.8786	0.364	12	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	109.5132	0.290	6	109.8786	0.364	12	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	108.9530	0.000	1	111.0660	8.930	2	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,8|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	113.1790	0.000	1	111.0660	8.930	2	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	116.2695	0.442	2	116.2695	0.195	2	110.8259	5.552	16	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{1|C<3>,3|C<4>,5|H<1>}	112.8950	0.000	1	112.8950	0.000	1	110.7570	9.142	2	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]CH)(C[5]C[5]HH)2(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	108.6190	0.000	1	108.6190	0.000	1	110.7570	9.142	2	112.0552	10.622	35	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:3:	4:4:4:4:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2260	0.214	2	112.6257	1.104	3	111.5682	2.703	5	110.7750	4.318	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.4250	0.000	1	112.6257	1.104	3	111.5682	2.703	5	110.7750	4.318	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2{1|C<4>,3|H<1>,5|C<3>}	109.9820	0.465	2	109.9820	0.216	2	111.5682	2.703	5	110.7750	4.318	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	108.7920	2.021	2	108.7920	4.084	2	108.7920	4.084	2	110.7750	4.318	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:2:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	109.7330	0.792	4	109.7330	0.627	4	109.7330	0.627	4	109.7330	0.627	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:2:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	3:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)2(C[6]O[6]HH)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2{1|O<2>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(H)2{1|O<1>,2|C<3>,2|O<2>,6|H<1>}	111.4958	2.041	8	111.4958	4.166	8	111.4958	4.166	8	111.4958	4.166	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	111.4028	7.615	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,5,6]CC)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	111.4028	7.615	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	111.4028	7.615	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	111.4028	7.615	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,5|H<1>}	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	111.4028	7.615	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	110.3570	0.000	1	108.5190	3.234	3	108.7505	2.371	4	108.7505	2.371	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	108.4370	0.000	1	108.5190	3.234	3	108.7505	2.371	4	108.7505	2.371	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	106.7630	0.000	1	108.5190	3.234	3	108.7505	2.371	4	108.7505	2.371	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	109.4450	0.000	1	109.4450	0.000	1	108.7505	2.371	4	108.7505	2.371	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:2:4:2:	4:4:2:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	111.8645	0.042	2	111.8645	0.002	2	111.8645	0.002	2	112.6188	10.322	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	112.6188	10.322	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	112.6188	10.322	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|N<3>,1|O<2>,5|H<1>}	118.2080	0.000	1	118.2080	0.000	1	118.2080	0.000	1	112.6188	10.322	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	111.5450	0.997	2	111.5450	0.994	2	111.5450	0.994	2	111.5450	0.994	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:2:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	108.2305	0.310	2	108.2305	0.096	2	108.2305	0.096	2	108.8503	1.201	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	108.8503	1.201	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.5510	0.000	1	116.5510	0.000	1	117.7477	0.685	4	117.2510	1.748	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	118.1467	0.270	3	118.1467	0.073	3	117.7477	0.685	4	117.2510	1.748	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	117.2510	1.748	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.1550	0.482	2	113.1550	0.233	2	113.1550	0.233	2	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.9350	0.429	2	114.9350	0.184	2	114.9350	0.184	2	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.8900	0.000	1	110.8900	0.000	1	111.1050	0.092	2	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	111.3200	0.000	1	111.3200	0.000	1	111.1050	0.092	2	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<3>,8|H<1>}	111.9256	1.150	8	111.9256	1.323	8	111.9256	1.323	8	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	110.7610	0.007	2	110.7610	0.000	2	110.7610	0.000	2	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	112.1697	2.130	17	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	114.2587	2.945	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	115.0760	0.000	2	115.0760	0.000	2	115.1163	0.005	3	114.2587	2.945	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	115.1970	0.000	1	115.1970	0.000	1	115.1163	0.005	3	114.2587	2.945	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	117.1110	0.000	1	117.3305	0.096	2	117.3305	0.096	2	117.3305	0.096	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	117.5500	0.000	1	117.3305	0.096	2	117.3305	0.096	2	117.3305	0.096	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	119.0290	0.769	2	119.0290	0.592	2	117.2413	1.821	7	117.2413	1.821	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	116.5880	0.000	1	116.1620	0.154	3	117.2413	1.821	7	117.2413	1.821	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	115.9490	0.187	2	116.1620	0.154	3	117.2413	1.821	7	117.2413	1.821	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	117.2790	0.000	1	117.2790	0.000	1	117.2413	1.821	7	117.2413	1.821	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){1|C<3>,1|C<4>,5|H<1>}	116.8660	0.000	1	116.8660	0.000	1	117.2413	1.821	7	117.2413	1.821	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){1|C<3>,1|C<4>,5|H<1>}	116.4320	0.000	1	116.4320	0.000	1	115.9527	0.211	7	115.9527	0.211	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	115.6580	0.000	1	115.6580	0.000	1	115.9527	0.211	7	115.9527	0.211	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	115.8050	0.772	2	115.8050	0.596	2	115.9527	0.211	7	115.9527	0.211	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	115.9897	0.391	3	115.9897	0.153	3	115.9527	0.211	7	115.9527	0.211	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	114.3840	0.000	1	114.3840	0.000	1	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	117.6160	0.000	1	117.6160	0.000	1	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	113.0820	0.000	1	109.8070	8.088	3	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	108.1695	0.296	2	109.8070	8.088	3	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	117.6330	0.000	1	117.8565	0.100	2	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	118.0800	0.000	1	117.8565	0.100	2	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	118.5470	0.000	1	118.5470	0.000	1	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.3540	0.000	1	118.1065	1.133	2	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	118.8590	0.000	1	118.1065	1.133	2	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	115.7215	0.237	2	115.7215	0.056	2	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.3220	0.000	1	115.3220	0.000	1	115.2815	12.825	13	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	116.5020	0.693	2	116.5020	0.480	2	116.5020	0.480	2	115.4442	11.212	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.5865	5.735	2	113.5865	32.894	2	113.5865	32.894	2	113.5865	32.894	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.9260	0.359	2	110.9830	7.857	4	110.9830	7.857	4	110.9830	7.857	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.0400	2.553	2	110.9830	7.857	4	110.9830	7.857	4	110.9830	7.857	4	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:2:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2{1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,5|H<1>}	110.4905	0.066	2	110.4905	0.004	2	110.4905	0.004	2	110.4905	0.004	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:3:1:	4:3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:3:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	116.2580	0.000	1	116.2580	0.000	1	116.2580	0.000	1	113.0455	20.640	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:3:2:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	113.0455	20.640	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	115.1780	0.000	1	115.1027	0.037	3	115.1027	0.037	3	115.1027	0.037	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	115.0650	0.256	2	115.1027	0.037	3	115.1027	0.037	3	115.1027	0.037	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:4:	4:2:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]CC){3|O<1>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]O[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:3:4:4:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	115.0130	0.000	1	115.0130	0.000	1	115.0130	0.000	1	115.0130	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	111.3890	4.597	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	113.1560	1.123	4	113.1560	1.261	4	111.9487	4.790	6	111.3890	4.597	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	109.5340	1.636	2	109.5340	2.677	2	111.9487	4.790	6	111.3890	4.597	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,2|O<1>,3|C<4>,7|H<1>}	111.1890	1.454	2	111.1890	2.114	2	111.1890	2.114	2	111.3890	4.597	9	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:H-1:H-1:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6])(H)2{2|H<1>,4|C<4>}	108.9063	4.114	3	108.9063	16.927	3	108.9063	16.927	3	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{2|H<1>,2|O<2>,3|C<4>}	109.9830	0.608	2	109.9830	0.370	2	111.0523	3.615	3	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,4|H<1>}	113.1910	0.000	1	113.1910	0.000	1	111.0523	3.615	3	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<3>,3|C<4>,6|H<1>}	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,3|H<1>}	111.5300	0.000	1	111.5300	0.000	1	110.6798	3.174	6	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	110.5098	1.937	5	110.5098	3.751	5	110.6798	3.174	6	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	111.7994	0.969	5	111.7994	0.938	5	111.7994	0.938	5	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2{1|N<4>,3|C<4>,6|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5,6])(H)2{1|N<4>,3|C<4>,6|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	110.9993	4.494	20	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	109.8640	0.000	1	109.8640	0.000	1	109.8990	0.002	2	109.8990	0.002	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	109.9340	0.000	1	109.9340	0.000	1	109.8990	0.002	2	109.8990	0.002	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	108.4850	4.548	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:2:4:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	108.4850	4.548	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2{2|H<1>,4|C<4>}	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.5760	0.000	1	110.5760	0.000	1	110.5170	0.007	2	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2{3|H<1>,4|C<4>}	110.4580	0.000	1	110.4580	0.000	1	110.5170	0.007	2	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	C[5,6](C[5,5]C[5,5]C[5]N[5])(C[5]N[5]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2{1|N<2>,2|C<4>,3|C<3>,4|H<1>}	110.7545	0.870	2	110.7545	0.758	2	110.7545	0.758	2	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.2800	0.000	1	109.2800	0.000	1	111.3803	3.543	4	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	112.0803	1.541	3	112.0803	2.374	3	111.3803	3.543	4	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	110.0770	0.000	1	110.0770	0.000	1	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{3|C<4>,4|H<1>}	116.2285	0.426	2	116.2285	0.182	2	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	109.6470	0.000	1	112.7425	19.164	2	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{2|C<4>,5|H<1>}	115.8380	0.000	1	112.7425	19.164	2	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	113.1507	2.941	3	113.0977	8.109	10	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	114.3514	2.604	5	113.0977	8.109	10	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{2|C<4>,3|H<1>}	109.8840	0.173	2	113.0977	8.109	10	113.2664	8.635	15	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2{1|S<4>,2|C<4>,6|H<1>}	112.0820	1.701	2	112.0820	2.894	2	111.6383	1.747	13	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{2|C<4>,7|H<1>}	111.4005	1.546	8	111.4005	2.391	8	111.6383	1.747	13	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{4|C<4>,4|H<1>}	112.2710	0.000	1	112.2710	0.000	1	111.6383	1.747	13	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	111.8295	0.105	2	111.8295	0.011	2	111.6383	1.747	13	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(H)2{1|O<1>,2|C<4>,6|H<1>}	110.8359	0.799	8	110.8359	0.639	8	111.1451	0.735	20	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	111.3665	0.921	2	111.4123	0.436	4	111.1451	0.735	20	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{3|C<4>,7|H<1>}	111.4580	0.672	2	111.4123	0.436	4	111.1451	0.735	20	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.8125	1.606	2	111.8125	2.579	2	111.1451	0.735	20	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	111.1570	0.857	6	111.1570	0.734	6	111.1451	0.735	20	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	111.8689	3.814	59	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	115.4385	0.306	2	115.6852	0.198	4	115.6852	0.198	4	114.3203	5.428	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	115.9320	0.506	2	115.6852	0.198	4	115.6852	0.198	4	114.3203	5.428	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	C[5,6](C[5]C[5]HO)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	111.5905	2.047	2	111.5905	4.191	2	111.5905	4.191	2	114.3203	5.428	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	116.9020	0.000	1	116.6990	0.082	2	116.6990	0.082	2	116.6990	0.082	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	116.4960	0.000	1	116.6990	0.082	2	116.6990	0.082	2	116.6990	0.082	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	106.3180	0.105	2	106.3180	0.011	2	106.3180	0.011	2	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	111.7978	0.521	4	111.9275	0.210	6	111.9275	0.210	6	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	112.1870	0.192	2	111.9275	0.210	6	111.9275	0.210	6	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	111.3810	3.834	2	111.3810	14.699	2	111.3810	14.699	2	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	115.2235	1.076	2	115.2235	1.157	2	115.2235	1.157	2	111.7419	8.376	14	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	114.4995	0.962	2	114.4995	0.926	2	115.9010	1.963	5	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	117.2740	0.000	1	117.2740	0.000	1	115.9010	1.963	5	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	116.6160	0.301	2	116.6160	0.091	2	115.9010	1.963	5	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	112.2170	0.000	1	112.2170	0.000	1	109.0606	10.937	7	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	115.1020	0.000	1	115.1020	0.000	1	109.0606	10.937	7	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	106.9620	0.342	2	106.9620	0.117	2	109.0606	10.937	7	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	107.3937	0.975	3	107.3937	0.951	3	109.0606	10.937	7	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	112.0555	2.819	2	112.0555	7.948	2	112.0555	7.948	2	111.6392	16.848	15	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,9|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(H)2{3|C<4>,3|H<1>}	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2	C[5,6](C[3,5]C[3,5,6]C[6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.1840	0.240	2	112.1840	0.058	2	112.1840	0.058	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	115.0915	0.585	2	114.2477	1.314	4	114.2477	1.314	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	113.4040	0.867	2	114.2477	1.314	4	114.2477	1.314	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	108.5530	0.007	2	108.6647	0.037	3	108.8995	0.246	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	108.8880	0.000	1	108.6647	0.037	3	108.8995	0.246	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	109.6040	0.000	1	109.6040	0.000	1	108.8995	0.246	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.2640	0.000	1	110.2640	0.000	1	109.6675	0.712	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	109.0710	0.000	1	109.0710	0.000	1	109.6675	0.712	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.2480	0.207	4	110.2480	0.043	4	110.2480	0.043	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|O<2>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	113.4070	0.000	1	113.4070	0.000	1	111.4310	8.576	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.9310	0.421	2	108.9310	0.178	2	111.4310	8.576	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	114.4550	0.000	1	114.4550	0.000	1	111.4310	8.576	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CH)(H)2{3|C<4>,5|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.7037	1.369	3	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	108.5230	0.000	1	108.5230	0.000	1	109.7037	1.369	3	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,6|H<1>}	110.8630	0.000	1	110.8630	0.000	1	109.7037	1.369	3	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.6920	1.085	2	110.6920	1.177	2	110.6920	1.177	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	110.1460	0.000	1	110.1460	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	108.4290	0.000	1	108.4290	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	109.6700	0.284	2	109.6700	0.081	2	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.8130	0.000	1	110.0363	3.080	3	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.1480	1.194	2	110.0363	3.080	3	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	109.4305	0.402	11	109.4305	0.161	11	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	116.0360	0.000	1	116.0360	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{3|C<4>,4|H<1>}	115.2620	0.000	1	115.2620	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<4>,3|H<1>}	112.4205	0.148	2	112.4205	0.022	2	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.2060	0.000	1	109.2060	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.1575	0.915	4	114.6993	8.057	9	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	110.2230	0.000	1	114.6993	8.057	9	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	109.4160	0.000	1	114.6993	8.057	9	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	116.0083	0.419	3	114.6993	8.057	9	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.6930	0.727	6	116.6053	0.495	7	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	116.0790	0.000	1	116.6053	0.495	7	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.4815	0.361	2	110.4815	0.131	2	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	109.9800	0.000	1	109.9800	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	116.4440	0.000	1	116.4440	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	109.4550	0.000	1	109.4550	0.000	1	112.3290	10.836	44	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:I-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)(I){2|C<4>,5|H<1>}	115.9840	0.225	4	115.9840	0.051	4	115.9840	0.051	4	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2	C[5,6](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5,6]CC)(H)2{1|Si<3>,1|C<3>,2|C<4>,5|H<1>}	111.3615	0.530	2	111.3615	0.281	2	111.3615	0.281	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,7|H<1>}	111.1595	0.883	2	111.1175	0.693	6	111.1175	0.693	6	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<3>,3|C<4>,6|H<1>}	111.8440	0.255	2	111.1175	0.693	6	111.1175	0.693	6	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,5]HH)(C[5]O[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(H)2{2|C<4>,3|C<3>,6|H<1>}	110.3490	0.618	2	111.1175	0.693	6	111.1175	0.693	6	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|S<4>,2|C<4>,8|H<1>}	111.0815	0.366	2	111.0815	0.134	2	111.0815	0.134	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]C[6]HH)2{1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CH)(H)2{1|S<4>,2|C<4>,6|H<1>}	111.5890	0.395	2	111.5890	0.156	2	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	112.4770	0.000	1	112.4770	0.000	1	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,3|C<4>,4|H<1>}	108.4310	0.740	2	108.4310	0.547	2	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	112.3015	0.431	2	112.3015	0.185	2	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{2|C<3>,2|C<4>,5|H<1>}	111.6860	0.649	2	111.6860	0.421	2	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	110.7870	1.657	2	110.7870	2.747	2	111.0969	2.445	11	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2S[5])(H)2{10|H<1>,2|C<4>,2|N<4>}	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,8|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2{3|C<4>,8|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[5,6]HH)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2{2|C<4>,3|C<3>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,8|H<1>}	112.9570	0.124	2	112.9570	0.015	2	112.9570	0.015	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.2450	0.158	2	113.2450	0.025	2	113.2450	0.025	2	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.9480	7.666	108	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CN)(H){2|C<4>,5|H<1>}	114.7930	0.922	2	114.7930	0.850	2	114.7930	0.850	2	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	117.2560	0.000	1	117.2560	0.000	1	117.0630	0.074	2	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	116.8700	0.000	1	116.8700	0.000	1	117.0630	0.074	2	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	113.7150	0.000	1	113.7150	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	113.7430	0.000	1	113.7430	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	113.1040	0.000	1	113.1040	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	115.1328	0.139	5	115.1328	0.019	5	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.6055	0.125	2	115.6055	0.016	2	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	107.1960	0.000	1	107.1960	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.6440	0.000	1	115.6440	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	114.4320	0.000	1	114.4320	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	107.6250	0.000	1	107.6250	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	116.8380	0.000	1	116.8380	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	115.5100	0.000	1	114.9877	0.404	6	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	114.8832	0.650	5	114.9877	0.404	6	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	116.0660	0.895	2	116.0660	0.801	2	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	115.0290	0.495	2	115.5089	2.462	27	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	116.1433	0.038	3	115.5089	2.462	27	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	115.4948	0.519	4	115.5089	2.462	27	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	115.4596	1.898	18	115.5089	2.462	27	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.0680	0.000	1	115.5294	0.224	37	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.5746	0.484	25	115.5294	0.224	37	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.4685	0.463	11	115.5294	0.224	37	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	103.8490	0.000	1	103.8490	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	111.2150	0.000	1	111.2150	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	108.9910	0.000	1	108.9910	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	106.7550	0.000	1	106.7550	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	116.0520	0.000	1	116.0520	0.000	1	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	111.7445	0.473	2	111.7445	0.224	2	114.8394	5.210	94	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	115.4270	0.000	1	115.4270	0.000	1	115.0770	0.160	7	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	114.8735	0.371	4	115.0187	0.164	6	115.0770	0.160	7	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	115.3090	0.389	2	115.0187	0.164	6	115.0770	0.160	7	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	111.3255	0.336	2	111.3255	0.113	2	111.5865	2.770	4	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C[5,6](C[5]C[5]HO)2(C[6]C[6]HH)2{2|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	111.8475	2.815	2	111.8475	7.924	2	111.5865	2.770	4	114.7154	5.411	110	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	117.8421	0.559	7	117.8421	0.312	7	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	115.8790	0.000	1	115.8790	0.000	1	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	116.5000	0.000	1	117.0067	0.314	3	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	117.2600	0.492	2	117.0067	0.314	3	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	118.6410	0.000	1	116.8949	0.271	46	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	116.9321	0.397	34	116.8949	0.271	46	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	116.6210	0.555	11	116.8949	0.271	46	116.9993	0.383	57	116.9993	0.383	57	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	113.5735	0.429	2	113.5735	0.184	2	113.5735	0.184	2	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	114.4230	0.000	1	114.4230	0.000	1	114.6610	0.113	2	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5]C[5]2)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	114.8990	0.000	1	114.8990	0.000	1	114.6610	0.113	2	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.4100	0.000	1	114.4100	0.000	1	114.5650	0.048	2	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.7200	0.000	1	114.7200	0.000	1	114.5650	0.048	2	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	117.7400	0.380	2	117.7400	0.145	2	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<1>,2|C<4>,3|H<1>}	113.6410	0.000	1	113.6410	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.1220	0.000	1	116.1220	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|C<3>,1|C<4>,5|H<1>}	115.0160	0.000	1	115.0160	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	115.4730	0.000	2	115.6950	0.148	3	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	116.1390	0.000	1	115.6950	0.148	3	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){3|C<4>,4|H<1>}	115.1180	0.000	1	115.1180	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){2|C<4>,5|H<1>}	115.4440	0.198	3	115.4440	0.039	3	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(H){2|C<4>,5|H<1>}	115.1080	0.000	1	115.1080	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){1|C<3>,1|C<4>,5|H<1>}	116.1990	0.000	1	116.7201	0.427	16	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	116.5200	0.000	1	116.7201	0.427	16	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	116.7716	0.683	14	116.7201	0.427	16	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]C)(H){2|C<4>,5|H<1>}	116.1104	0.546	5	116.1104	0.298	5	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]O)(H){2|C<4>,5|H<1>}	116.9070	0.000	1	116.9070	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	116.2810	0.598	2	116.2810	0.358	2	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	116.4180	0.137	2	116.4180	0.019	2	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(H){2|C<4>,5|H<1>}	116.0220	0.000	1	116.0220	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(H){2|C<4>,5|H<1>}	116.5820	0.000	1	116.5820	0.000	1	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,5|H<1>}	115.3305	0.786	2	115.3305	0.617	2	116.2220	0.793	43	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O){2|C<4>,5|H<1>}	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	116.4260	0.000	1	116.4260	0.000	1	108.6388	8.441	14	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	107.3076	1.442	10	107.7292	2.670	12	108.6388	8.441	14	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	109.8370	0.059	2	107.7292	2.670	12	108.6388	8.441	14	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	111.7670	0.000	1	111.7670	0.000	1	108.6388	8.441	14	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	108.9160	1.485	2	108.9160	2.205	2	109.5120	2.168	3	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	110.7040	0.000	1	110.7040	0.000	1	109.5120	2.168	3	114.0460	13.642	69	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	115.9490	0.000	1	115.9490	0.000	1	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){2|C<4>,5|H<1>}	116.2040	0.893	3	116.2040	0.797	3	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	117.4250	0.000	1	117.4250	0.000	1	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	117.2170	0.000	1	117.2170	0.000	1	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	117.6600	0.000	1	117.6600	0.000	1	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	118.0435	0.422	2	118.0435	0.178	2	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	116.0490	0.000	1	116.9510	0.766	3	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	117.4020	0.559	2	116.9510	0.766	3	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	115.7930	0.000	1	116.3624	0.509	7	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	115.6090	0.000	1	116.3624	0.509	7	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	116.6270	0.673	5	116.3624	0.509	7	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){2|C<4>,5|H<1>}	116.0463	0.636	3	116.0463	0.404	3	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	116.7280	0.000	1	116.7280	0.000	1	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	116.1583	0.308	3	116.1583	0.095	3	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	115.2020	0.000	1	115.4605	0.134	2	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	115.7190	0.000	1	115.4605	0.134	2	116.5215	0.720	28	116.5215	0.720	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	116.6280	0.317	3	116.6280	0.100	3	116.6280	0.100	3	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	118.9410	0.000	1	118.9410	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.8490	0.000	1	116.8490	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.5700	0.000	1	115.7902	3.834	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.8470	0.000	1	115.7902	3.834	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	113.5475	0.076	2	115.7902	3.834	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	115.2490	0.000	1	115.7902	3.834	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.9800	0.000	1	115.7902	3.834	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	108.6380	0.000	1	108.6380	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	119.4363	0.487	4	119.4363	0.238	4	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.7305	0.104	2	117.7305	0.011	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	113.5090	0.000	1	113.4280	0.013	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	113.3470	0.000	1	113.4280	0.013	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	116.6260	0.451	9	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.1510	0.000	1	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.2730	0.000	1	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	115.8180	0.000	1	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	115.7460	0.000	1	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.5740	0.882	2	116.5180	0.308	15	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,5|H<1>}	115.8880	0.520	2	115.8880	0.271	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	116.6920	0.000	1	116.6920	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	115.9525	0.657	2	116.9715	0.874	12	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	117.1753	0.862	10	116.9715	0.874	12	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	118.5630	0.000	1	116.8875	5.615	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	115.2120	0.000	1	116.8875	5.615	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	117.1920	0.834	3	117.1920	0.696	3	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	117.8800	0.883	9	117.3609	1.103	14	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	116.4266	0.571	5	117.3609	1.103	14	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	117.2400	0.000	1	117.2400	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	119.2580	0.000	1	119.2580	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	117.2890	0.000	1	117.2890	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	116.7660	0.000	1	116.7660	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	118.4100	0.000	1	118.4100	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	118.6500	1.342	2	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.5660	0.000	1	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	116.2840	0.000	1	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.0325	0.172	2	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.8131	0.576	7	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	115.9810	0.000	1	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	117.8160	0.000	1	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	117.1560	0.000	1	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.8114	0.654	134	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.3440	1.011	2	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	116.5245	0.581	2	116.8333	0.471	154	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){2|C<4>,5|H<1>}	116.3640	0.426	2	116.3640	0.181	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	116.2410	0.827	2	116.2410	0.684	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	116.7075	0.090	2	116.7075	0.008	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	116.7445	0.624	4	115.2607	14.669	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	112.2930	6.764	2	115.2607	14.669	6	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	116.7073	0.704	3	116.7073	0.496	3	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CO)(H){2|C<4>,5|H<1>}	115.8890	0.384	3	115.8890	0.147	3	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	115.6900	0.000	1	115.6900	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	115.0340	0.267	2	115.0340	0.071	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	116.5020	0.000	1	116.5020	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	116.6920	0.000	1	116.6920	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	116.1310	0.000	1	116.1310	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	116.8125	0.378	2	116.8125	0.143	2	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	115.3000	0.000	1	115.3000	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	115.4940	0.000	1	115.4940	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.3470	0.000	1	117.3470	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.0850	0.385	4	117.0850	0.148	4	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	108.2410	0.000	1	108.2410	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	107.7320	0.000	1	107.7320	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.2780	0.000	1	107.2780	0.000	1	116.6484	2.389	261	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	117.2035	0.815	2	117.2035	0.665	2	116.8493	1.697	7	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	117.9610	0.000	1	117.9610	0.000	1	116.8493	1.697	7	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]C)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,6|H<1>}	118.7160	0.000	1	118.7160	0.000	1	116.8493	1.697	7	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]2C)(H){4|C<4>,5|H<1>}	115.7170	0.000	1	115.7170	0.000	1	116.8493	1.697	7	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	115.5720	0.016	2	115.5720	0.000	2	116.8493	1.697	7	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	117.1840	0.000	1	117.1840	0.000	1	117.2297	0.028	3	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	117.2525	0.228	2	117.2525	0.052	2	117.2297	0.028	3	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	117.1740	0.000	1	117.1740	0.000	1	117.4105	0.112	2	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.4105	0.112	2	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	116.6346	2.550	281	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	116.6700	0.000	1	116.6700	0.000	1	116.6700	0.000	1	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC){2|C<4>,5|H<1>}	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	116.4195	0.207	2	116.4195	0.043	2	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	118.6950	0.000	1	118.6950	0.000	1	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	120.0280	0.000	1	120.0280	0.000	1	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	118.5510	0.000	1	118.5510	0.000	1	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	117.3207	0.419	43	117.3207	0.176	43	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	117.6070	0.000	1	117.6070	0.000	1	117.3981	0.408	49	117.3740	0.406	51	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.0445	0.774	2	113.0445	0.600	2	113.0445	0.600	2	113.0445	0.600	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	107.5510	0.000	1	107.5510	0.000	1	116.6433	20.063	6	116.2066	18.054	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	118.7123	0.541	3	118.7123	0.292	3	116.6433	20.063	6	116.2066	18.054	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	118.0860	0.231	2	118.0860	0.053	2	116.6433	20.063	6	116.2066	18.054	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<2>,2|H<1>,4|C<4>}	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	116.2066	18.054	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:2:3:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]O)(H)2{2|O<2>,3|H<1>,5|C<4>}	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.0235	0.857	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<4>,4|H<1>}	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	110.0235	0.857	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.7570	0.484	2	116.7570	0.234	2	116.7570	0.234	2	114.0809	7.558	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	110.8430	0.000	1	110.7610	0.013	2	112.6793	11.047	3	114.0809	7.558	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	110.6790	0.000	1	110.7610	0.013	2	112.6793	11.047	3	114.0809	7.558	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	116.5160	0.000	1	116.5160	0.000	1	112.6793	11.047	3	114.0809	7.558	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	113.5070	1.465	2	113.5070	2.147	2	113.5070	2.147	2	114.0809	7.558	7	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(C[5]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.8847	0.455	4	115.8847	0.207	4	115.0062	4.015	5	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]N[5,5]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.4920	0.000	1	111.4920	0.000	1	115.0062	4.015	5	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	115.5040	0.888	2	115.5040	0.789	2	115.5040	0.789	2	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	113.8065	1.066	2	113.8065	1.136	2	113.7542	0.492	4	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	113.7020	0.574	2	113.7020	0.330	2	113.7542	0.492	4	114.2962	3.578	12	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(H){1|O<2>,2|C<4>,3|H<1>}	118.0610	0.000	1	118.0610	0.000	1	114.2533	36.746	3	113.6500	37.062	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,2|O<2>,3|H<1>}	107.2630	0.000	1	107.2630	0.000	1	114.2533	36.746	3	113.6500	37.062	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(H){2|C<4>,2|O<2>,3|H<1>}	117.4360	0.000	1	117.4360	0.000	1	114.2533	36.746	3	113.6500	37.062	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	113.6500	37.062	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	113.6500	37.062	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,2|O<2>,3|H<1>}	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	109.3780	0.222	2	109.3780	0.049	2	117.6016	1.760	123	117.6026	1.745	124	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	117.7601	0.919	8	117.7601	0.844	8	117.6016	1.760	123	117.6026	1.745	124	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	117.6970	0.057	2	117.7359	0.636	113	117.6016	1.760	123	117.6026	1.745	124	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	117.7366	0.805	111	117.7359	0.636	113	117.6016	1.760	123	117.6026	1.745	124	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	117.6026	1.745	124	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:2:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.8710	0.307	2	109.8710	0.094	2	109.8710	0.094	2	109.8710	0.094	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.3390	0.000	1	108.0207	0.445	7	108.0253	0.403	9	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.9260	0.455	5	108.0207	0.445	7	108.0253	0.403	9	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.1760	0.000	1	108.0207	0.445	7	108.0253	0.403	9	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.0415	0.745	2	108.0415	0.554	2	108.0253	0.403	9	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	112.5935	0.158	2	112.5935	0.025	2	112.5935	0.025	2	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(C[5]C[5]HH)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	114.4550	0.385	2	114.4550	0.148	2	114.4550	0.148	2	109.7173	7.550	13	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	119.4530	0.000	2	119.4530	0.000	2	119.4530	0.000	2	119.4530	0.000	2	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:3:3:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	115.3266	20.221	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	118.7510	0.000	1	118.5383	0.034	3	118.5383	0.034	3	115.3266	20.221	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	118.4320	0.000	2	118.5383	0.034	3	118.5383	0.034	3	115.3266	20.221	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	115.3266	20.221	5	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:2:4:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:Br-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(Br)(H){1|H<1>,4|C<4>}	102.7030	0.000	1	102.7030	0.000	1	102.7030	0.000	1	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	107.4915	0.276	2	107.4915	0.076	2	107.5533	0.192	4	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	108.1070	0.000	1	108.1070	0.000	1	107.5533	0.192	4	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]O)(H)2{1|H<1>,4|C<4>}	107.1230	0.000	1	107.1230	0.000	1	107.5533	0.192	4	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2	C[5,6](C[5]C[5]HH)(C[5]O[5]CH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(H)2{4|C<4>,4|H<1>}	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	108.1466	10.049	8	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	115.2003	9.856	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:P-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	117.0040	0.440	2	117.0040	0.193	2	117.0040	0.193	2	115.2003	9.856	3	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,6]C[5,6,6]C[6]O[5])(C[5,6]C[5,5,6]C[6]C)(H)2{2|H<1>,2|O<2>,7|C<4>}	111.0630	0.000	1	111.0630	0.000	1	111.0630	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	108.0590	0.218	2	108.0590	0.047	2	108.0590	0.047	2	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.8840	0.000	2	109.8840	0.000	2	109.4604	0.183	5	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|I<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.4270	0.000	1	109.1780	0.068	3	109.4604	0.183	5	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.0535	0.206	2	109.1780	0.068	3	109.4604	0.183	5	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	107.7127	0.602	3	107.7127	0.362	3	109.2550	5.588	9	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	108.6808	0.255	4	108.6808	0.065	4	109.2550	5.588	9	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(H)2{2|H<1>,5|C<4>}	115.1000	0.000	1	115.1000	0.000	1	109.2550	5.588	9	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	110.3340	0.000	1	110.3340	0.000	1	109.2550	5.588	9	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3){1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(H)2{1|S<4>,2|H<1>,4|C<4>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]S)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|H<1>,5|C<4>}	113.6080	0.000	1	113.6080	0.000	1	113.6080	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HN)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	108.8180	0.000	1	108.8180	0.000	1	109.4820	3.342	6	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2	C[5,6](C[5]C[5]HH)(C[5]N[5]HP)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]CC)(H)2{1|C<3>,1|P<3>,3|C<4>,4|H<1>}	107.7150	1.515	2	107.7150	2.294	2	109.4820	3.342	6	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{4|C<4>,6|H<1>}	111.9310	0.000	1	111.9310	0.000	1	109.4820	3.342	6	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(H)2{4|C<4>,6|H<1>}	110.6770	0.000	1	110.6770	0.000	1	109.4820	3.342	6	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)2(C[6]C[6]CH)2{1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	110.0360	0.000	1	110.0360	0.000	1	109.4820	3.342	6	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]OO)(H)2{1|O<2>,4|C<4>,5|H<1>}	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.7885	4.130	28	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	103.4538	0.970	5	103.4538	0.940	5	103.4538	0.940	5	104.9578	14.325	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]CH){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	104.9578	14.325	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H){2|C<3>,4|H<1>,5|C<4>}	111.3727	0.211	3	111.3727	0.045	3	111.3727	0.045	3	113.0000	8.967	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	113.0000	8.967	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]2C)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	113.0000	8.967	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	113.0000	8.967	6	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5,6]	C[6]	C[5]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(H)2{1|N<4>,1|O<2>,2|H<1>,3|C<4>}	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	114.6485	11.370	4262	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[3x6]	C[5]	4:4:2:1:	4:4:4:4:	4:3:3:1:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H)	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[3x6]O[5]H)(C[5]C[6a]N[5])(COO)(H){2|C<3>,3|C<4>}	116.9160	0.000	1	116.9160	0.000	1	116.9160	0.000	1	116.9160	0.000	1	115.3250	5.063	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[3x6]	C[5]	4:4:3:2:	4:4:4:4:	4:4:2:1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	115.3250	5.063	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-4:C[5,6]-4:H-1:	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[5]C[6,6]C[5]H)(C[5,6]C[5,6]HO)(H){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6,6]	C[5]	4:4:3:1:	3:4:4:4:	4:3:1:1:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	117.1883	7.353	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6,6]	C[5]	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H)	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2	C[5](C[6,6]C[6,6]C[6]2)(C[5,6]C[5,6]2H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<1>,3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6,6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	117.1883	7.353	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	115.5135	0.917	2	115.5135	0.841	2	115.5135	0.841	2	115.5135	0.841	2	117.1883	7.353	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6,6]	C[5]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	120.6185	0.087	2	120.6185	0.008	2	120.6185	0.008	2	120.6185	0.008	2	117.1883	7.353	6	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[3x5]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[3x5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H)	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H)	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H){2|O<2>,4|C<4>,9|H<1>}	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[3x5](C[5]C[5]C[6]H)(C[5,5]C[5]2H)(N[5,5]O[5]2)(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	117.1935	0.087	2	117.1935	0.008	2	117.1935	0.008	2	117.1935	0.008	2	117.1935	0.008	2	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,5]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[5](C[5,5]C[3,5]C[5,5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	122.1580	0.000	2	122.1580	0.000	2	122.1580	0.000	2	122.0280	0.107	6	121.1395	4.891	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,5]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6]C[6]2H)(C[5]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	121.9630	0.402	4	121.9630	0.161	4	121.9630	0.161	4	122.0280	0.107	6	121.1395	4.891	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,5]	4:4:4:1:	4:4:3:2:	4:4:4:2:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	121.1395	4.891	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,5]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:N-3:	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO)	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]C[6]H)(C[5]C[5]HH)(NOO){3|C<4>,4|H<1>}	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	121.1395	4.891	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,5]	4:4:4:1:	4:4:4:2:	4:4:4:2:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	122.2655	1.167	2	122.2655	1.363	2	122.2655	1.363	2	122.2655	1.363	2	121.1395	4.891	10	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	117.9790	0.746	3	117.7655	0.553	4	117.7655	0.553	4	117.7655	0.553	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){3|C<3>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	117.1250	0.000	1	117.7655	0.553	4	117.7655	0.553	4	117.7655	0.553	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:3:2:4:	3:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-2:C-4:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	C[5](C[5,6]N[5,6]C[6]C)(C[6]C[6]N[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|N<2>,2|O<2>}	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	121.3120	0.526	2	121.3120	0.277	2	121.3120	0.277	2	121.3120	0.277	2	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:3:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	120.6370	0.000	2	119.7874	0.464	7	119.7874	0.464	7	119.7874	0.464	7	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	119.2367	0.465	3	119.7874	0.464	7	119.7874	0.464	7	119.7874	0.464	7	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.7640	0.000	2	119.7874	0.464	7	119.7874	0.464	7	119.7874	0.464	7	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	119.1310	0.000	1	119.0373	0.483	3	119.0373	0.483	3	119.4780	1.099	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	118.3000	0.000	1	119.0373	0.483	3	119.0373	0.483	3	119.4780	1.099	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	119.6810	0.000	1	119.0373	0.483	3	119.0373	0.483	3	119.4780	1.099	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	119.4780	1.099	4	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	111.2380	0.287	2	111.2380	0.082	2	111.2380	0.082	2	111.2380	0.082	2	118.3123	6.832	26	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:1:	4:4:3:1:	4:3:3:3:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	114.8290	0.000	1	114.8290	0.000	1	114.8290	0.000	1	114.8290	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:2:1:1:	N[5]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	114.5873	0.514	3	114.5873	0.264	3	114.5873	0.264	3	114.5873	0.264	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:2:	4:4:3:1:	4:2:1:1:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.9925	0.738	2	109.9925	0.544	2	110.6230	1.465	3	110.6230	1.465	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.8840	0.000	1	111.8840	0.000	1	110.6230	1.465	3	110.6230	1.465	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:3:	4:2:3:1:	4:3:3:1:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H)	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:3:	4:3:3:1:	4:4:4:4:	C[6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H)	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H){2|H<1>,3|C<3>,5|C<4>}	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>,4|C<3>}	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:3:	4:4:2:1:	4:2:1:1:	N[5,5]-3:C[6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO)	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	114.2725	0.528	2	114.2725	0.279	2	114.2725	0.279	2	114.2725	0.279	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	3:4:4:4:	4:3:3:1:	4:4:1:1:	C[5,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH)	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H)	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	3:4:3:1:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:4:2:1:	4:2:4:4:	C[6]-4:C[5]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H)	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	C[5](C[6]C[6]O[6]H)(C[5]C[5,6]O)(C[5]O[5]CC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:4:4:1:	3:4:3:2:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:4:4:1:	3:4:4:4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	118.4570	0.000	1	118.4570	0.000	1	118.4570	0.000	1	118.4570	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:3:4:1:	4:4:4:1:	4:3:3:3:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H){2|N<3>,3|C<4>,4|C<3>,5|H<1>}	114.5670	0.656	2	114.5670	0.431	2	114.5670	0.431	2	114.5670	0.431	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	3:4:4:4:	4:4:4:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:2:1:	4:2:1:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	112.9845	1.333	2	112.9845	1.777	2	112.9845	1.777	2	112.9845	1.777	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:2:4:	4:3:4:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:O[6]-2:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3)	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	C[5](C[5]N[5]CH)(C[6]O[6]2C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	115.5650	0.000	2	115.5650	0.000	2	115.5650	0.000	2	115.5650	0.000	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:4:3:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:4:3:	4:4:4:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	120.0523	0.833	3	120.0523	0.694	3	120.0523	0.694	3	120.0523	0.694	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:4:4:	4:4:2:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	119.0370	0.000	1	118.7780	0.134	2	118.7780	0.134	2	118.7780	0.134	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:2:4:4:	4:4:2:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	118.5190	0.000	1	118.7780	0.134	2	118.7780	0.134	2	118.7780	0.134	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:3:3:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	115.4020	0.000	1	115.4020	0.000	1	114.2098	1.212	5	114.2098	1.212	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	113.9383	1.238	3	113.9117	1.024	4	114.2098	1.212	5	114.2098	1.212	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	113.8320	0.000	1	113.9117	1.024	4	114.2098	1.212	5	114.2098	1.212	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:2:4:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[5,6]O[6]H)(C[5]C[5,6]HH)(O[5]N[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[6]O[5]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	114.0727	3.264	6	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.2670	1.363	2	114.2670	1.859	2	115.0397	1.416	4	114.0727	3.264	6	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.8125	0.046	2	115.8125	0.002	2	115.0397	1.416	4	114.0727	3.264	6	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]SeH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	114.0727	3.264	6	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:2:	4:2:4:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:2:4:	4:3:4:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	113.1075	1.678	2	113.1075	2.816	2	113.1075	2.816	2	113.1075	2.816	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:3:1:	4:4:4:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:3:2:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:3:4:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:1:	4:2:1:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	117.1445	0.182	2	117.1445	0.033	2	117.1445	0.033	2	117.1445	0.033	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:1:	4:2:4:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H)	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(C[6]C[6]2H)(O[5]B[5,5])(H){1|O<2>,5|C<4>,5|H<1>}	114.6905	2.374	2	114.6905	5.635	2	114.6905	5.635	2	114.6905	5.635	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:2:	4:3:4:1:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:S-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a])	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	C[5](C[5]N[5]CH)(C[6]C[6]2S)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.2290	0.000	1	119.6167	0.368	3	119.6167	0.368	3	119.6167	0.368	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	119.3105	0.416	2	119.6167	0.368	3	119.6167	0.368	3	119.6167	0.368	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:3:	3:4:3:1:	4:3:1:1:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,1|N<3>,3|C<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	113.7645	1.957	2	113.7645	3.828	2	112.9457	3.926	3	112.9457	3.926	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|S<4>,3|C<4>,3|H<1>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	111.3080	0.000	1	111.3080	0.000	1	112.9457	3.926	3	112.9457	3.926	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	111.6400	0.000	1	111.6400	0.000	1	112.2435	0.728	2	112.2435	0.728	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>}	112.8470	0.000	1	112.8470	0.000	1	112.2435	0.728	2	112.2435	0.728	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:3:1:1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]C)(C[5]C[6a]N[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.3335	0.036	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:3:1:1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[6]O[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	115.3335	0.036	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<4>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>}	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:3:4:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6,6a]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.0270	0.000	1	116.0270	0.000	1	116.0270	0.000	1	116.0270	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.1650	0.000	1	117.1650	0.000	1	117.1650	0.000	1	118.2323	0.875	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	3:4:4:1:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.7660	0.204	2	118.7660	0.041	2	118.7660	0.041	2	118.2323	0.875	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	119.4120	0.000	1	119.4120	0.000	1	119.9790	0.643	2	119.9790	0.643	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H)	C[5](C[5]C[5]HN)(C[6]C[6]2H)(C[5]C[5]O)(H){2|H<1>,2|O<1>,2|O<2>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NC[6a]C)(H){1|O<1>,2|C<3>,2|H<1>}	120.5460	0.000	1	120.5460	0.000	1	119.9790	0.643	2	119.9790	0.643	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	113.2180	0.442	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.7480	0.000	1	112.7480	0.000	1	112.7480	0.000	1	113.2180	0.442	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6]N[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[6]N[5]H)(C[5]O[5]CH)(H)2{1|H<1>,1|O<2>,2|C<4>}	113.2010	1.621	3	113.2010	2.628	3	113.2010	2.628	3	113.2010	2.628	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:2:	4:2:1:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5](C[5]C[6]N[5]H)(S[5]C[5])(H)2{1|O<1>,2|C<4>,2|O<2>}	114.2290	0.000	2	114.2290	0.000	2	114.2290	0.000	2	114.2290	0.000	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|O<2>}	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	116.3900	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:4:4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	C[5](C[5]O[5]CC)(C[6]C[6]2H)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.3120	0.704	2	117.3120	0.496	2	117.3120	0.496	2	117.3120	0.496	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:3:3:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	3:4:2:1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CCH)(H){1|S<4>,2|C<4>,3|H<1>}	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|S<4>,4|C<4>,5|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	115.0265	0.691	4	115.0265	0.477	4	115.0265	0.477	4	115.0265	0.477	4	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:4:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	118.7373	1.294	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:4:1:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	118.1510	0.724	2	118.1510	0.524	2	118.1510	0.524	2	118.7373	1.294	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:4:2:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:2:	4:4:4:2:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	118.1335	0.653	2	118.1335	0.426	2	118.1335	0.426	2	118.1335	0.426	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:1:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	117.6470	0.536	2	117.6470	0.287	2	117.6470	0.287	2	117.6470	0.287	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:2:	4:4:4:2:	4:3:1:1:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]O)(H)2{1|Si<4>,1|O<2>,3|C<4>}	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:3:	3:3:4:1:	3:4:1:1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:3:3:	3:4:4:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H)	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H){1|N<3>,2|N<2>,5|H<1>}	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	114.6700	0.433	2	114.6700	0.187	2	114.6700	0.187	2	114.6700	0.187	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:4:4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:3:2:4:	4:3:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.6620	0.255	2	115.6620	0.065	2	115.6620	0.065	2	115.6620	0.065	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:3:2:4:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]HH)2(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	114.4515	0.616	2	114.4515	0.379	2	114.4515	0.379	2	114.4515	0.379	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:2:4:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CO)(C[5]C[5]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:2:4:	4:4:4:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	C[5](C[6]C[6]O[6]C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	115.5460	0.000	1	115.5460	0.000	1	115.5460	0.000	1	115.5460	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(H)2{1|C<3>,1|C<4>,5|H<1>}	113.1686	0.436	5	113.1686	0.190	5	113.1686	0.190	5	113.1686	0.190	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]2H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	113.9636	0.956	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.1260	0.000	1	113.1260	0.000	1	113.8517	1.041	6	113.9636	0.956	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.9968	1.069	5	113.9968	1.144	5	113.8517	1.041	6	113.9636	0.956	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]2H)(H){1|Si<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	113.8390	0.000	1	113.8390	0.000	1	113.8390	0.000	1	114.5370	0.974	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,4|H<1>,4|O<2>}	115.2350	0.000	1	115.2350	0.000	1	115.2350	0.000	1	114.5370	0.974	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:3:2:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|F<1>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	116.9935	0.408	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|F<1>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	116.9935	0.408	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	3:4:4:2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	118.5340	0.000	1	118.5340	0.000	1	118.5340	0.000	1	118.5340	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	C[5](C[5,5]C[5,5]C[5]N)(C[5]O[5]CH)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	111.5950	0.000	1	111.9603	0.100	3	111.9603	0.100	3	112.7824	11.992	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	112.1420	0.000	1	111.9603	0.100	3	111.9603	0.100	3	112.7824	11.992	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	112.1440	0.000	1	111.9603	0.100	3	111.9603	0.100	3	112.7824	11.992	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6]C[6,6]C[6]H)(C[5]C[5]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	112.7824	11.992	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5,5]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	112.7824	11.992	5	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(C[6]C[6]2H)(H){2|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6]H)(C[5]O[5]CH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	116.4275	0.307	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.4275	0.307	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[3x5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H)	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H)	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(C[6]C[6]2H)(H){2|O<2>,4|C<4>,9|H<1>}	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[3x5]C[6]H)(C[5]C[5,5]HH)(COO)2{1|N<3>,2|H<1>,4|C<4>}	120.0840	0.919	2	120.0840	0.845	2	120.0840	0.845	2	120.0840	0.845	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6]C[6,6]C[6]H)(C[5]C[5,6]CH)(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,5]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3){4|C<4>,5|H<1>}	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	117.1850	0.409	2	117.1850	0.167	2	117.1850	0.167	2	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	116.3690	0.000	1	116.3690	0.000	1	117.0460	0.665	3	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	116.8180	0.000	1	117.3845	0.642	2	117.0460	0.665	3	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	117.9510	0.000	1	117.3845	0.642	2	117.0460	0.665	3	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{3|C<4>,3|H<1>,4|O<2>}	114.6570	0.000	1	114.6570	0.000	1	117.8927	2.556	6	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	118.5700	0.000	1	118.5700	0.000	1	117.8927	2.556	6	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(H)2{2|C<4>,4|H<1>,4|O<2>}	118.5323	0.268	4	118.5323	0.072	4	117.8927	2.556	6	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<4>,3|O<2>}	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	117.8471	2.638	12	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	118.0560	0.000	1	118.3000	0.119	2	118.3000	0.119	2	117.5870	0.461	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	118.5440	0.000	1	118.3000	0.119	2	118.3000	0.119	2	117.5870	0.461	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	116.4800	0.000	1	116.4800	0.000	1	117.3018	0.306	5	117.5870	0.461	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	117.5072	0.356	4	117.5072	0.127	4	117.3018	0.306	5	117.5870	0.461	7	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:4:2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	116.1110	0.000	1	116.1110	0.000	1	116.1110	0.000	1	118.3120	3.867	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:4:2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	118.3120	3.867	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:1:	4:4:4:2:	4:4:4:2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	118.3120	3.867	3	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:2:2:1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[6]-4:C[5]-4:C[5]-4:O-2:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]CC)(H)2{2|C<4>,5|H<1>}	111.1915	1.544	2	111.1915	2.383	2	111.1550	1.316	4	111.1550	1.316	4	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)2(C[6]C[6]2H)(CHN){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	111.1185	1.249	2	111.1185	1.561	2	111.1550	1.316	4	111.1550	1.316	4	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.8780	0.209	2	112.8780	0.044	2	112.8780	0.044	2	112.8780	0.044	2	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3){1|Br<1>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	0:SP3_SP3_SP3	C[5]	C[6]	C[5]	4:4:4:4:	4:4:4:2:	4:4:4:4:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3){1|Br<1>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	115.3880	7.807	188	115.1115	13.366	8172
474	466	474	6:SP3_SP3_SP3	C[3x5,3x6]	C[6]	C[3x5,3x6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH)	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[3x5,3x6](C[3x5,3x6]C[3x5,3x6]C[5,5]C[6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	114.1290	0.373	2	114.1290	0.139	2	114.1290	0.139	2	114.1290	0.139	2	114.1290	0.139	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[3x5,4x6]	C[6,6]	C[3x5,5x6]	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,4x6]-4:C[3x6]-4:H-1:H-1:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2{1|O<1>,2|C<3>,5|H<1>,6|C<4>}	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[3x5,5x6]	C[6,6]	C[3x5,4x6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,5x6]-4:C[3x5,3x6]-4:C[5,5]-3:C[6,6]-4:	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH)	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	C[3x5,4x6](C[3x5,5x6]C[3x5,3x6]C[5,5,6,6]C[6,6])(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(C[6,6]C[3x6]HH){2|C<3>,4|C<4>,6|H<1>}	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[3x5,5x6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	116.2930	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5]2C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	108.0998	0.504	5	108.0998	0.504	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[3x5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:C[6]-4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,5]C[5]2H)(C[5,5]O[5]2H)(C[6]C[6]HH){1|O<2>,4|C<4>,5|H<1>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	108.4052	0.225	4	108.4052	0.051	4	108.4052	0.051	4	108.0998	0.504	5	108.0998	0.504	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:2:2:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:O[6]-2:O[5]-2:	C[5,3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5])	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H)	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:2:3:	4:3:3:1:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	107.3650	0.332	2	107.3650	0.110	2	107.3650	0.110	2	108.6184	1.484	5	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:2:3:	4:3:3:1:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.4405	0.767	2	109.4405	0.589	2	109.4540	0.295	3	108.6184	1.484	5	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:2:3:	4:3:3:1:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.4810	0.000	1	109.4810	0.000	1	109.4540	0.295	3	108.6184	1.484	5	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:2:3:	4:3:3:3:	4:4:2:3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[6]-3:N[5]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H)	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.3226	0.028	5	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){2|Cl<1>,2|H<1>,2|O<2>,4|C<3>}	109.3450	0.185	4	109.3450	0.034	4	109.3450	0.034	4	109.3226	0.028	5	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:3:3:3:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:3:4:3:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[5,3x6]-4:C[3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,3|C<3>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6,6a]C[3x6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	109.3150	0.000	1	109.1325	0.067	2	109.1325	0.067	2	109.1325	0.067	2	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.9500	0.000	1	109.1325	0.067	2	109.1325	0.067	2	109.1325	0.067	2	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:2:	4:3:4:1:	4:4:4:4:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:3:	4:4:3:1:	4:4:4:3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:3:	4:4:4:1:	4:4:2:2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.2593	0.343	4	108.2593	0.117	4	108.2593	0.117	4	108.2593	0.117	4	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,3x6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	109.1140	1.342	27	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,4x6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.2682	0.281	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,4x6]	4:4:4:4:	4:3:2:1:	4:4:2:4:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	108.0538	0.260	4	108.0538	0.068	4	108.0538	0.068	4	108.0538	0.068	4	108.2682	0.281	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,5,6,6]	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3{1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6,6]	4:4:3:2:	4:4:3:1:	4:3:3:4:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	113.0087	0.184	3	113.0087	0.034	3	113.0087	0.034	3	113.0087	0.034	3	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:2:	4:4:2:1:	4:4:2:4:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H)	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	116.8036	1.230	9	116.5845	1.270	17	116.5845	1.270	17	116.5845	1.270	17	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	116.3381	1.021	8	116.5845	1.270	17	116.5845	1.270	17	116.5845	1.270	17	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	118.5383	0.488	3	118.5383	0.238	3	118.5383	0.238	3	118.5383	0.238	3	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	115.9620	0.000	1	115.9620	0.000	1	116.0030	0.003	2	116.0030	0.003	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	116.0440	0.000	1	116.0440	0.000	1	116.0030	0.003	2	116.0030	0.003	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	118.4220	0.000	1	118.0923	0.300	6	118.0923	0.300	6	118.0923	0.300	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.7090	0.000	1	118.0923	0.300	6	118.0923	0.300	6	118.0923	0.300	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	118.0560	0.738	2	118.0923	0.300	6	118.0923	0.300	6	118.0923	0.300	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:2:3:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	118.1555	0.831	2	118.0923	0.300	6	118.0923	0.300	6	118.0923	0.300	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:2:4:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:4:2:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	117.9440	0.000	1	117.9240	0.002	3	117.9240	0.002	3	117.9240	0.002	3	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:4:2:1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	117.9140	0.049	2	117.9240	0.002	3	117.9240	0.002	3	117.9240	0.002	3	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:Cl-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cl<1>,2|O<1>,4|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl){1|C<3>,3|C<4>,7|H<1>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:2:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	111.4710	0.000	1	111.4095	0.008	2	111.4095	0.008	2	111.4095	0.008	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	111.3480	0.000	1	111.4095	0.008	2	111.4095	0.008	2	111.4095	0.008	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,3x6]N[5,6,6]C[3x6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	113.4913	0.180	3	113.4913	0.032	3	113.4913	0.032	3	113.4913	0.032	3	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	C[5,3x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]BrH)(C[3x6]C[6,6]2H)(C[5]O[5]O){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	107.1770	0.000	1	107.1770	0.000	1	109.8590	14.386	2	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	112.5410	0.000	1	112.5410	0.000	1	109.8590	14.386	2	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	110.2140	0.000	1	110.2140	0.000	1	108.9857	1.244	4	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	107.9460	0.000	1	107.9460	0.000	1	108.9857	1.244	4	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	109.6410	0.000	1	109.6410	0.000	1	108.9857	1.244	4	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.9857	1.244	4	110.1573	6.544	8	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	110.1723	0.437	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.7090	0.000	1	110.7090	0.000	1	110.2600	0.489	5	110.1723	0.437	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	110.8430	0.000	1	110.1478	0.568	4	110.2600	0.489	5	110.1723	0.437	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	110.4230	0.000	1	110.1478	0.568	4	110.2600	0.489	5	110.1723	0.437	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	109.6625	0.821	2	110.1478	0.568	4	110.2600	0.489	5	110.1723	0.437	6	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.9630	0.000	1	110.9630	0.000	1	110.9710	0.105	5	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.6660	0.000	1	110.6660	0.000	1	110.9710	0.105	5	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	111.1470	0.000	1	111.0753	0.147	3	110.9710	0.105	5	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	111.0395	0.535	2	111.0753	0.147	3	110.9710	0.105	5	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	112.1430	0.000	1	111.5930	0.229	3	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	111.3180	0.062	2	111.5930	0.229	3	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{2|C<3>,2|C<4>,6|H<1>}	107.2820	0.000	1	107.2547	0.131	3	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{4|C<4>,6|H<1>}	107.2410	0.511	2	107.2547	0.131	3	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	111.6575	0.511	2	111.6575	0.261	2	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:H-1:H-1:	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6]O[5,6]C)(H)2{1|O<2>,4|C<4>,5|H<1>}	107.3955	0.906	2	107.3955	0.820	2	109.4649	5.358	10	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	108.2390	0.000	1	108.2390	0.000	1	108.9220	5.083	3	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	107.0880	0.000	1	107.0880	0.000	1	108.9220	5.083	3	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	111.4390	0.000	1	111.4390	0.000	1	108.9220	5.083	3	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)(C[5,6]N[3,5,6]HH)(C[3x6]C[6,6]2H)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	109.8481	3.897	19	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	109.1950	0.000	1	109.1950	0.000	1	110.6210	4.067	2	110.6210	4.067	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	112.0470	0.000	1	112.0470	0.000	1	110.6210	4.067	2	110.6210	4.067	2	113.2964	13.545	82	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[3x5,6,6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	107.6720	0.218	2	107.6720	0.047	2	107.6720	0.047	2	107.6720	0.047	2	108.2770	1.122	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,3x6]	4:4:4:1:	4:4:4:2:	4:3:4:1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	108.2770	1.122	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,4x6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,3x6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,6,6]	4:3:4:1:	4:4:3:4:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	110.6355	0.598	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,6,6]	4:4:3:1:	4:4:3:3:	4:4:4:1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	111.1375	0.414	2	111.1375	0.171	2	111.1375	0.171	2	111.1375	0.171	2	110.6355	0.598	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,6,6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	109.7140	0.000	1	109.7140	0.000	1	109.7575	0.004	2	109.7575	0.004	2	110.6355	0.598	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,6,6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	109.8010	0.000	1	109.8010	0.000	1	109.7575	0.004	2	109.7575	0.004	2	110.6355	0.598	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,5,6,6]	4:4:3:2:	4:4:3:4:	4:4:4:1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.6355	0.598	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	3:4:4:1:	4:4:3:4:	4:4:3:1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	112.8880	0.128	3	112.8880	0.016	3	112.8880	0.016	3	112.8880	0.016	3	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	3:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	3:4:4:2:	4:4:3:4:	4:4:4:1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.0747	0.112	3	111.6827	0.623	4	111.6827	0.623	4	111.6827	0.623	4	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	110.5070	0.000	1	111.6827	0.623	4	111.6827	0.623	4	111.6827	0.623	4	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	111.9375	0.202	2	111.9375	0.041	2	111.8733	0.033	3	111.8733	0.033	3	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	111.7450	0.000	1	111.7450	0.000	1	111.8733	0.033	3	111.8733	0.033	3	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:2:	4:4:3:3:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:2:	4:4:3:4:	4:4:3:2:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:2:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	111.8980	0.000	1	111.7335	0.054	2	111.7335	0.054	2	111.7335	0.054	2	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:3:2:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	111.5690	0.000	1	111.7335	0.054	2	111.7335	0.054	2	111.7335	0.054	2	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:4:1:	4:3:4:4:	4:4:3:4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	110.2110	0.000	1	110.2015	0.000	2	110.2015	0.000	2	110.2015	0.000	2	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:4:1:	4:3:4:4:	4:4:3:4:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1920	0.000	1	110.2015	0.000	2	110.2015	0.000	2	110.2015	0.000	2	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	109.5980	0.134	2	109.5980	0.018	2	109.5980	0.018	2	109.5980	0.018	2	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6,6]	4:4:4:4:	4:4:3:4:	4:4:3:4:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH){2|C<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	111.4621	1.384	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	115.0880	0.000	1	115.0610	0.001	2	115.0610	0.001	2	115.0610	0.001	2	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	115.0340	0.000	1	115.0610	0.001	2	115.0610	0.001	2	115.0610	0.001	2	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]C)(C[5,3x6]C[5,3x6]C[4x6]H)(H)2{4|C<4>,5|H<1>}	112.3220	0.042	2	112.3220	0.002	2	112.3220	0.002	2	112.3220	0.002	2	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[4x6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	114.6675	0.414	2	114.6675	0.171	2	114.6675	0.171	2	114.6675	0.171	2	113.9149	2.093	8	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6x6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:3:4:3:	4:4:1:1:	4:3:2:4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-4:N[5,6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	105.7575	0.354	6	105.7575	0.126	6	105.7575	0.126	6	105.7575	0.126	6	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	113.8768	0.909	5	113.8768	0.826	5	113.6220	0.742	7	113.9132	0.617	13	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,3x6])(H){1|O<1>,4|C<4>,4|H<1>}	112.9850	0.107	2	112.9850	0.012	2	113.6220	0.742	7	113.9132	0.617	13	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	114.5777	0.612	3	114.3238	0.507	4	114.2530	0.334	6	113.9132	0.617	13	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(O[5,6]C[4,5,6,6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.5620	0.000	1	114.3238	0.507	4	114.2530	0.334	6	113.9132	0.617	13	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:O[5,6]-2:H-1:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(O[5,6]C[4,5,6,6])(H){1|O<1>,4|C<4>,4|H<1>}	114.1115	0.293	2	114.1115	0.086	2	114.2530	0.334	6	113.9132	0.617	13	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	114.2975	0.114	2	114.2975	0.013	2	113.7165	0.565	4	113.5270	0.436	6	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	113.1355	0.576	2	113.1355	0.332	2	113.7165	0.565	4	113.5270	0.436	6	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	113.1480	0.233	2	113.1480	0.054	2	113.1480	0.054	2	113.5270	0.436	6	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	113.2773	0.403	4	113.2773	0.162	4	113.2773	0.162	4	112.9711	0.264	8	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	113.0390	0.223	2	112.6650	0.205	4	112.6650	0.205	4	112.9711	0.264	8	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	112.2910	0.072	2	112.6650	0.205	4	112.6650	0.205	4	112.9711	0.264	8	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-3:N[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H)	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	112.8934	8.344	5	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.7600	0.000	1	115.2740	0.528	2	115.2740	0.528	2	112.8934	8.344	5	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	115.7880	0.000	1	115.2740	0.528	2	115.2740	0.528	2	112.8934	8.344	5	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[4x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	112.8295	0.190	2	112.8295	0.036	2	112.8295	0.036	2	112.8934	8.344	5	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:C[6]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	108.3380	0.130	2	108.3380	0.017	2	108.3380	0.017	2	108.3380	0.017	2	112.1994	9.539	43	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:3:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	110.9200	0.322	2	110.9200	0.104	2	111.2615	0.460	4	111.2615	0.460	4	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,8|H<1>}	110.9670	0.000	1	111.6030	0.809	2	111.2615	0.460	4	111.2615	0.460	4	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	112.2390	0.000	1	111.6030	0.809	2	111.2615	0.460	4	111.2615	0.460	4	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.4472	0.038	4	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:2:3:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[3,6,6]-4:C[6,6]-4:	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH){1|O<1>,2|O<2>,4|C<4>,8|H<1>}	111.4913	0.211	3	111.4913	0.045	3	111.4913	0.045	3	111.4472	0.038	4	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	111.1665	0.524	2	111.1665	0.275	2	111.1665	0.275	2	111.1665	0.275	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	113.8545	0.000	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	113.8545	0.000	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	110.0560	0.000	1	110.0560	0.000	1	110.3450	0.167	2	110.3450	0.167	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	110.6340	0.000	1	110.6340	0.000	1	110.3450	0.167	2	110.3450	0.167	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	108.2985	0.024	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.2985	0.024	2	111.0556	2.395	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	108.0695	0.009	2	108.0695	0.000	2	108.0695	0.000	2	108.0695	0.000	2	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	108.2973	0.102	3	108.2973	0.010	3	108.2973	0.010	3	108.3907	0.164	6	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	108.3907	0.164	6	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	108.8365	0.057	2	108.8365	0.003	2	108.8365	0.003	2	108.3907	0.164	6	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	109.9930	0.438	2	109.9600	0.072	4	109.9600	0.072	4	109.9600	0.072	4	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	109.9270	0.137	2	109.9600	0.072	4	109.9600	0.072	4	109.9600	0.072	4	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	104.0340	0.508	3	104.0340	0.258	3	104.0340	0.258	3	104.0340	0.258	3	107.8950	4.633	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,4x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:3:4:3:	4:4:4:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-3:	C[5,3x6]-4:C[6]-4:P[6]-4:H-1:	C[5,3x6]-4:P[5,5,6]-4:C[5,6]-3:H-1:	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H)	C[5,3x6](C[5,5,6,6]P[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6,6]C[6]P[6]H)(COO){2|C<3>,2|H<1>,2|O<2>,2|W<6>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)2(C[5,5,6]C[5,6]2C)(H){10|H<1>,2|C<4>}	115.5655	0.022	2	115.5655	0.000	2	115.5655	0.000	2	114.3775	1.903	4	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	113.3690	0.000	1	113.3690	0.000	1	113.1895	0.064	2	114.3775	1.903	4	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	113.0100	0.000	1	113.0100	0.000	1	113.1895	0.064	2	114.3775	1.903	4	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]N[5,6]HH)(CCH){2|C<3>,3|C<4>,5|H<1>}	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	107.9480	0.000	1	107.9480	0.000	1	108.0830	0.036	2	108.1447	0.030	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	108.2180	0.000	1	108.2180	0.000	1	108.0830	0.036	2	108.1447	0.030	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.1447	0.030	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	111.8270	0.000	1	111.8270	0.000	1	112.3125	0.471	2	112.2680	0.242	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	112.7980	0.000	1	112.7980	0.000	1	112.3125	0.471	2	112.2680	0.242	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:3:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.2680	0.242	3	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.1480	0.000	1	111.1480	0.000	1	108.6635	12.345	2	108.6635	12.345	2	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]N[5,5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	106.1790	0.000	1	106.1790	0.000	1	108.6635	12.345	2	108.6635	12.345	2	111.3382	8.111	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	107.6105	0.054	2	107.6105	0.003	2	107.6105	0.003	2	107.6105	0.003	2	107.6105	0.003	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	109.9520	0.000	2	109.9520	0.000	2	109.9520	0.000	2	109.9520	0.000	2	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	108.7280	0.000	2	108.7280	0.000	2	108.7280	0.000	2	108.7302	2.695	6	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	109.8820	0.649	2	109.8820	0.421	2	108.4583	6.291	3	108.7302	2.695	6	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	105.6110	0.000	1	105.6110	0.000	1	108.4583	6.291	3	108.7302	2.695	6	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	108.7302	2.695	6	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,5x6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	108.4295	0.579	2	108.4295	0.335	2	108.4295	0.335	2	108.4295	0.335	2	108.9144	1.849	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:3:	4:4:3:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	107.1137	0.517	4	107.1137	0.267	4	107.1137	0.267	4	107.1137	0.267	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:3:	4:4:3:1:	4:4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:3:1:1:	4:4:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	109.4375	0.221	2	109.4375	0.049	2	109.4375	0.049	2	109.4375	0.049	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	108.0805	0.087	2	108.0805	0.008	2	108.0805	0.008	2	108.0805	0.008	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:3:	4:3:2:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	107.0415	2.211	2	107.0415	4.889	2	107.0415	4.889	2	107.0415	4.889	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:N[5]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H)	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	111.9310	0.000	2	111.9310	0.000	2	111.9310	0.000	2	112.9700	3.239	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	112.9700	3.239	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	105.6600	0.000	1	105.6600	0.000	1	105.6600	0.000	1	105.6600	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:2:2:1:	4:2:4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:2:2:1:	4:3:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:2:	4:3:2:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:2:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	116.4170	0.000	1	116.4170	0.000	1	116.4170	0.000	1	116.4170	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:2:2:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:2:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	C[5,3x6](C[5,3x6]C[3x6]C[6]N[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	114.3390	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	113.7580	0.000	1	113.7580	0.000	1	113.2120	0.596	2	113.2120	0.596	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	112.6660	0.000	1	112.6660	0.000	1	113.2120	0.596	2	113.2120	0.596	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	111.2525	8.052	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	111.2525	8.052	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	112.6050	6.108	5	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	112.6050	6.108	5	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	113.0500	0.000	1	113.0500	0.000	1	113.4145	0.266	2	112.6050	6.108	5	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	113.7790	0.000	1	113.7790	0.000	1	113.4145	0.266	2	112.6050	6.108	5	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	112.6050	6.108	5	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:3:2:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	111.6508	0.671	4	111.6508	0.451	4	111.6508	0.451	4	111.6508	0.451	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]O)(C[6,6]C[6,6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.6250	0.636	4	116.6250	0.404	4	116.6250	0.404	4	116.6250	0.404	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:3:4:3:	4:3:4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:3:4:3:	4:4:4:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,2|C<4>,8|H<1>}	111.1145	3.077	2	111.1145	9.466	2	111.1145	9.466	2	111.1145	9.466	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.9155	0.448	2	109.9155	0.200	2	109.7855	2.163	4	109.7855	2.163	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	107.8920	0.000	1	107.8920	0.000	1	109.7855	2.163	4	109.7855	2.163	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	111.4190	0.000	1	111.4190	0.000	1	109.7855	2.163	4	109.7855	2.163	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	108.3065	0.463	2	108.3065	0.215	2	108.3065	0.215	2	108.3065	0.215	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	107.7145	0.012	2	107.7145	0.000	2	107.7145	0.000	2	107.7145	0.000	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3)	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,9|H<1>}	110.7965	1.897	2	110.7965	3.599	2	110.7965	3.599	2	110.7965	3.599	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O){1|Si<4>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	108.2705	0.083	2	108.2705	0.007	2	108.2705	0.007	2	108.2705	0.007	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5])	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O){1|Si<4>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5]){1|O<1>,4|H<1>,4|O<2>,5|C<4>}	110.9255	0.180	2	110.9255	0.033	2	110.9255	0.033	2	110.9255	0.033	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Cr<6>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	112.0750	0.000	1	111.8943	0.218	3	111.8943	0.218	3	111.8943	0.218	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Mo<6>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	111.3640	0.000	1	111.8943	0.218	3	111.8943	0.218	3	111.8943	0.218	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|O<2>,1|W<6>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	112.2440	0.000	1	111.8943	0.218	3	111.8943	0.218	3	111.8943	0.218	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Cr<6>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	117.9120	0.000	1	117.6447	0.066	3	117.6447	0.066	3	117.6447	0.066	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Mo<6>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	117.6240	0.000	1	117.6447	0.066	3	117.6447	0.066	3	117.6447	0.066	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|O<2>,1|W<6>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	117.3980	0.000	1	117.6447	0.066	3	117.6447	0.066	3	117.6447	0.066	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:4:2:	4:4:2:3:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:2:2:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3){1|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	112.1725	0.276	2	112.1725	0.076	2	112.1725	0.076	2	112.1725	0.076	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	109.4030	3.116	2	109.4030	9.706	2	109.4030	9.706	2	109.4030	9.706	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	105.3415	0.586	2	105.3415	0.344	2	105.3415	0.344	2	105.3415	0.344	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	109.7420	0.000	1	109.2425	0.499	2	109.2010	0.255	3	109.2010	0.255	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	108.7430	0.000	1	109.2425	0.499	2	109.2010	0.255	3	109.2010	0.255	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	109.1180	0.000	1	109.1180	0.000	1	109.2010	0.255	3	109.2010	0.255	3	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	107.6260	0.000	1	106.9850	0.822	2	106.9850	0.822	2	111.9802	33.845	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	106.3440	0.000	1	106.9850	0.822	2	106.9850	0.822	2	111.9802	33.845	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	117.6470	0.000	1	117.6470	0.000	1	116.9755	0.902	2	111.9802	33.845	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	116.3040	0.000	1	116.3040	0.000	1	116.9755	0.902	2	111.9802	33.845	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	114.1850	0.000	1	113.6585	0.554	2	113.9363	0.509	3	113.3648	1.646	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	113.1320	0.000	1	113.6585	0.554	2	113.9363	0.509	3	113.3648	1.646	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	114.4920	0.000	1	114.4920	0.000	1	113.9363	0.509	3	113.3648	1.646	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	113.3648	1.646	4	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:3:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:3:2:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	113.1370	0.000	1	113.1370	0.000	1	111.8945	3.088	2	111.8945	3.088	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	110.6520	0.000	1	110.6520	0.000	1	111.8945	3.088	2	111.8945	3.088	2	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:2:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.8818	11.479	97	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[5,6]C[6,6]O[5]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	109.2707	8.411	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:2:	4:4:1:1:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	109.2707	8.411	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	109.2707	8.411	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	3:3:4:4:	4:3:1:1:	3:3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	110.6185	0.310	2	110.6185	0.096	2	110.4420	0.131	4	110.4420	0.131	4	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	3:3:4:4:	4:3:1:1:	3:3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	110.2655	0.414	2	110.2655	0.171	2	110.4420	0.131	4	110.4420	0.131	4	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	3:3:4:4:	4:3:1:1:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	3:3:4:4:	4:4:1:1:	3:3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2{1|C<4>,2|F<1>,6|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	112.1820	0.123	2	112.1820	0.015	2	112.1820	0.015	2	112.1820	0.015	2	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	3:4:3:4:	4:3:1:1:	4:3:3:4:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:3:3:4:	4:3:1:1:	3:3:4:4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:3:3:4:	4:3:1:1:	3:4:3:4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:3:4:	4:3:1:1:	4:4:3:4:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,3x6]C[5,5,6]C[6]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|C<3>,7|H<1>}	111.7192	0.283	6	111.7192	0.080	6	111.7192	0.080	6	111.8400	0.122	8	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:3:4:	4:3:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[6]-3:C[6]-4:	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,3x6]C[5,5,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	112.2025	0.319	2	112.2025	0.102	2	112.2025	0.102	2	111.8400	0.122	8	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:3:	4:3:1:1:	4:4:4:3:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:3:3:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5,3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3x6]-4:C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[5,3x6]C[3x6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	111.2765	2.066	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,4x6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	111.2182	0.317	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	111.4570	0.207	4	111.4570	0.043	4	111.4570	0.043	4	111.4570	0.043	4	111.2182	0.317	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,3x6]	4:3:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	115.3170	0.000	1	115.3170	0.000	1	112.1740	19.757	2	112.1740	19.757	2	112.6537	10.569	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,3x6]	4:3:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	109.0310	0.000	1	109.0310	0.000	1	112.1740	19.757	2	112.1740	19.757	2	112.6537	10.569	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,5,3x6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	112.6537	10.569	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	112.2175	0.199	2	112.2175	0.039	2	112.2175	0.039	2	112.2175	0.039	2	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	113.1710	0.000	1	113.1710	0.000	1	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	113.2190	0.000	1	113.2190	0.000	1	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	112.6540	0.000	1	112.6540	0.000	1	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	114.1330	0.000	1	112.5605	4.946	2	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	110.9880	0.000	1	112.5605	4.946	2	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	113.2025	0.956	4	113.1538	0.697	5	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	112.9590	0.000	1	113.1538	0.697	5	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	113.4700	0.937	3	113.4700	0.878	3	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	112.5960	0.000	1	112.5960	0.000	1	113.0671	0.843	14	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	113.0731	0.783	15	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	111.8660	0.000	1	111.8660	0.000	1	111.6952	3.315	6	111.6952	3.315	6	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	112.1965	1.898	4	111.6610	4.135	5	111.6952	3.315	6	111.6952	3.315	6	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	109.5190	0.000	1	111.6610	4.135	5	111.6952	3.315	6	111.6952	3.315	6	112.7348	1.788	26	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	114.4053	0.240	3	114.4053	0.058	3	114.4053	0.058	3	114.4053	0.058	3	114.1702	0.224	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,3x6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:3:3:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	113.8175	0.605	2	113.8175	0.366	2	113.8175	0.366	2	113.8175	0.366	2	114.1702	0.224	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,3x6]	4:4:4:4:	4:3:4:1:	4:4:4:2:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	110.9500	27.321	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,3x6]	4:4:4:4:	4:4:4:4:	4:4:4:2:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	110.9500	27.321	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	3:3:4:4:	4:3:3:1:	3:3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	108.1590	0.700	4	108.1590	0.491	4	108.1590	0.491	4	108.1590	0.491	4	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	3:3:4:4:	4:3:3:1:	3:4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	3:3:4:4:	4:3:3:1:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	108.2400	0.305	3	108.2400	0.093	3	108.2400	0.093	3	108.2400	0.093	3	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	3:4:3:4:	4:3:3:1:	3:3:4:4:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:3:3:4:	4:3:3:1:	3:3:4:4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	107.4483	0.585	3	107.4483	0.342	3	107.4483	0.342	3	107.4483	0.342	3	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	109.6185	0.209	2	109.6775	0.036	18	109.6775	0.036	18	109.6775	0.036	18	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	109.6280	0.342	2	109.6775	0.036	18	109.6775	0.036	18	109.6775	0.036	18	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	109.7210	0.172	10	109.6775	0.036	18	109.6775	0.036	18	109.6775	0.036	18	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	109.6100	0.308	2	109.6775	0.036	18	109.6775	0.036	18	109.6775	0.036	18	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,4x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:C[5]-3:	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O)	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[5,4x6](C[5,4x6]C[3x6]2C[5])(C[3x6]C[6,6,6a]2H)2(C[5]O[5]O){1|O<1>,2|H<1>,8|C<3>}	109.6360	0.205	2	109.6775	0.036	18	109.6775	0.036	18	109.6775	0.036	18	108.9802	0.901	30	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,5,3x6]	4:4:4:2:	4:4:3:1:	4:4:4:2:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[5,6]-4:O[5]-2:	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5])	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,5|C<4>}	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	110.6210	29.876	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,5,3x6]	4:4:4:3:	4:4:2:2:	4:4:3:4:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	106.7560	0.000	1	110.6210	29.876	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:3:4:3:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:N[5,6,6]-3:C[3x6]-4:N[5,6]-3:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H)	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5]){1|Br<1>,1|C<4>,1|N<2>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:3:1:	4:3:2:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	113.5215	0.859	2	113.5215	0.738	2	113.5517	0.372	3	113.5517	0.372	3	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:3:1:	4:3:2:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	113.6120	0.000	1	113.6120	0.000	1	113.5517	0.372	3	113.5517	0.372	3	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	114.4652	0.230	4	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	114.7855	0.409	2	114.7855	0.168	2	114.4927	0.341	3	114.4652	0.230	4	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	113.9070	0.000	1	113.9070	0.000	1	114.4927	0.341	3	114.4652	0.230	4	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	112.1920	0.000	1	112.1920	0.000	1	111.9285	0.139	2	111.9285	0.139	2	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	111.6650	0.000	1	111.6650	0.000	1	111.9285	0.139	2	111.9285	0.139	2	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:3:4:4:	4:3:2:2:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:3:1:	4:3:2:2:	C[5,6,6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	C[5,4x6](C[5,6,6]C[6,6]O[5]O)(C[3x6]C[6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:3:2:	4:4:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:3:2:	4:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:4:2:	4:3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:4:2:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	111.7989	7.003	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6]	3:4:4:4:	4:4:4:2:	4:4:4:4:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	116.6583	1.801	3	116.6583	3.245	3	116.6583	3.245	3	116.6583	3.245	3	116.7282	5.105	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	116.7282	5.105	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:4:4:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	117.6920	0.000	1	117.6920	0.000	1	115.5295	9.353	2	115.5295	9.353	2	116.7282	5.105	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:4:4:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	113.3670	0.000	1	113.3670	0.000	1	115.5295	9.353	2	115.5295	9.353	2	116.7282	5.105	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[5,3x6]	4:4:2:4:	4:3:4:1:	4:4:4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.5045	0.115	2	106.5040	0.020	4	106.5040	0.020	4	106.5040	0.020	4	106.8373	0.280	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[5,3x6]	4:4:2:4:	4:3:4:1:	4:4:4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.5035	0.217	2	106.5040	0.020	4	106.5040	0.020	4	106.5040	0.020	4	106.8373	0.280	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	C[5,3x6](C[5,4x6]C[5,3x6]C[4x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]HH)(H){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.5040	0.006	2	106.8373	0.280	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[4x6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[5,3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5040	0.006	2	106.8373	0.280	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[4x6]	C[5,6,6]	4:4:4:3:	4:4:2:2:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	108.8440	0.307	2	108.8440	0.094	2	108.8440	0.094	2	108.8440	0.094	2	108.8440	0.094	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:3:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<2>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	112.2500	0.000	1	112.0504	0.031	5	112.0504	0.031	5	112.0504	0.031	5	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:3:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|C<2>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	112.0260	0.000	1	112.0504	0.031	5	112.0504	0.031	5	112.0504	0.031	5	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:3:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	112.0950	0.106	2	112.0504	0.031	5	112.0504	0.031	5	112.0504	0.031	5	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:3:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	111.7860	0.000	1	112.0504	0.031	5	112.0504	0.031	5	112.0504	0.031	5	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:3:	4:4:2:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{1|O<2>,3|C<3>,3|C<4>,8|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	111.9980	0.000	1	111.8190	4.682	5	111.8190	4.682	5	112.1743	4.503	6	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	112.7540	0.000	1	111.8190	4.682	5	111.8190	4.682	5	112.1743	4.503	6	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	111.4477	2.950	3	111.8190	4.682	5	111.8190	4.682	5	112.1743	4.503	6	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[5x6]	C[5,6,6]	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	112.1743	4.503	6	112.1641	2.088	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[3x5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]O[5,6]H)(H){4|C<4>,5|H<1>}	111.4550	0.000	1	111.4550	0.000	1	111.5250	0.010	2	111.5250	0.010	2	111.5250	0.010	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[3x5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,4x6]-4:C[5,5,3x6]-4:H-1:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,3x6]O[5,6])(C[5,4x6]C[5,5,3x6]C[6,6]H)(C[5,5,3x6]C[5,4x6]C[5,6]H)(H){2|O<2>,3|C<4>,6|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.5250	0.010	2	111.5250	0.010	2	111.5250	0.010	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:3:2:2:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	105.8440	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:4:1:1:	4:4:2:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	107.3105	1.150	2	107.3105	1.324	2	107.6205	0.611	4	107.6205	0.611	4	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:4:1:1:	4:4:2:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	108.1800	0.000	1	107.9305	0.125	2	107.6205	0.611	4	107.6205	0.611	4	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:4:1:1:	4:4:2:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	107.6810	0.000	1	107.9305	0.125	2	107.6205	0.611	4	107.6205	0.611	4	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[5,5,3x6]-4:C[5,4x6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,4x6]C[5,5,6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,3|O<2>,4|C<4>,6|H<1>}	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:2:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	107.7940	1.679	4	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,6,6]-4:C[5,3x6]-4:C[3,6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH){1|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	107.1803	0.508	3	107.1803	0.258	3	107.1803	0.258	3	107.7940	1.679	4	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:3:1:	4:4:2:2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	108.4816	7.588	16	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	109.0303	2.015	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,3x6]-4:C[5,4x6]-4:C[5,6]-4:H-1:	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H)	C[5,4x6](C[3x5,3x6]C[4x5,6,6]C[5,5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(C[5,6]O[5,6]HO)(H){3|C<4>,4|H<1>}	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	109.0303	2.015	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2{2|O<2>,3|C<3>,4|C<4>}	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	109.0303	2.015	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	109.0516	9.352	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	105.0080	0.000	1	105.0080	0.000	1	105.0080	0.000	1	105.0080	0.000	1	109.0516	9.352	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	109.0516	9.352	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	109.0516	9.352	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	109.0516	9.352	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,3x6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:C[5]-4:C[6]-4:	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[5,4x6]C[4x6]O[5,6]C[6])(C[3x6]C[6,6,6a]O[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.9455	0.413	4	113.9455	0.171	4	113.9455	0.171	4	113.9455	0.171	4	112.9027	2.883	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,3x6]C[3x6]C[5,6]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|N<3>,5|C<4>}	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.8170	0.855	2	112.9027	2.883	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,4x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	110.8170	0.855	2	112.9027	2.883	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[3x6]	C[5,5,3x6]	4:4:2:2:	4:4:4:1:	4:4:4:2:	C[5,5,3x6]-4:C[3x6]-4:O[5,5]-2:O[5,6]-2:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[5,4x6]-4:C[5,6]-4:O[5]-2:	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5])	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6]){2|O<2>,5|C<4>,6|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,5|C<4>}	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	110.5457	2.260	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[3x6]	C[5,5,3x6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6]C[3x6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	109.6920	0.383	2	109.6920	0.147	2	109.6920	0.147	2	109.6920	0.147	2	110.5457	2.260	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[3x5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	115.0855	1.647	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[3x5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	115.0855	1.647	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,3x6]	4:4:2:3:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	110.5740	5.882	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:3:1:1:	4:4:2:3:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	110.5740	5.882	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[5,5,3x6](C[5,5,3x6]C[5,6]C[6,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[6,6]C[6,6]HH)2{3|C<4>,3|O<1>,7|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	110.5740	5.882	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,6,6]	4:3:2:4:	4:4:3:4:	4:4:3:4:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	114.0345	3.319	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:2:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	113.7140	0.000	1	113.1463	0.245	3	113.1463	0.245	3	113.1463	0.245	3	114.0345	3.319	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:2:4:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	112.8625	0.083	2	113.1463	0.245	3	113.1463	0.245	3	113.1463	0.245	3	114.0345	3.319	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.9725	0.695	2	116.9725	0.483	2	116.3323	1.471	3	116.3323	1.471	3	115.3835	4.582	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.0520	0.000	1	115.0520	0.000	1	116.3323	1.471	3	116.3323	1.471	3	115.3835	4.582	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	115.3835	4.582	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]N[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,4|C<4>,6|H<1>}	113.6315	0.069	2	113.6315	0.005	2	113.6315	0.005	2	113.6315	0.005	2	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[4,5,6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	113.2377	1.248	3	113.2377	1.557	3	113.2377	1.557	3	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	115.5095	0.897	2	115.2953	0.540	3	115.4185	0.421	4	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	114.8670	0.000	1	115.2953	0.540	3	115.4185	0.421	4	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	115.7880	0.000	1	115.7880	0.000	1	115.4185	0.421	4	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,6]C[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,8|H<1>}	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,6]2C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,3|C<4>,8|H<1>}	112.4995	0.189	2	112.4995	0.036	2	112.4995	0.036	2	114.1696	2.237	10	114.0799	1.875	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]O)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	113.3910	0.759	2	113.3910	0.577	2	113.3910	0.577	2	113.3910	0.577	2	113.7920	0.407	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,3x6]	C[6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]H)(C[5,5,6,6]N[5,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,5x6]C[6,6]H)(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	114.1930	0.000	2	114.1930	0.000	2	114.1930	0.000	2	114.1930	0.000	2	113.7920	0.407	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	113.0660	0.006	2	113.0660	0.000	2	112.4646	0.465	8	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	112.8595	0.060	2	112.8595	0.004	2	112.4646	0.465	8	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]2)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|H<1>,9|C<4>}	112.5140	0.153	2	112.5140	0.023	2	112.4646	0.465	8	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[4x5,3x6]C[5,5,3x6]H)2(C[6,6]C[5,5,6,6]HH)2{4|H<1>,6|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,3x6](C[4x5,3x6]C[3x5,6,6]C[4x5,3x6]C[3x5,6])(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|C<3>,8|C<4>,9|H<1>}	111.4190	0.038	2	111.4190	0.001	2	112.4646	0.465	8	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{2|I<1>,4|C<4>,4|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]I)(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){1|I<1>,2|C<3>,4|C<4>,8|H<1>}	112.7715	0.951	4	112.7715	0.905	4	112.3530	0.396	11	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,5,4x6]-4:H-1:	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H)	C[5,5,4x6](C[5,5,3x6]C[5,5,3x6]2H)2(C[6,6]C[5,5,6,6]HH)2{4|C<4>,6|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)2(C[5,5,4x6]C[5,5,3x6]C[6,6]2)(H){2|C<3>,4|C<4>,9|H<1>}	112.1139	0.157	7	112.1139	0.025	7	112.3530	0.396	11	112.4000	0.404	19	112.4000	0.404	19	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,4x6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,5,4x6]-4:C[6]-4:H-1:H-1:	C[5,5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2{4|H<1>,7|C<4>}	C[5,3x6](C[5,5,4x6]C[5,5,6,6]N[5,6,6]C[6])(C[5,6]C[5,5,6]HH)(C[6,6]C[6]2H)(H){5|C<4>,8|H<1>}	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[3x5,6]	4:4:4:3:	4:4:4:4:	4:4:2:4:	C[3x5,6]-4:C[3,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O)	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH){1|O<1>,1|O<2>,7|C<4>}	110.6352	0.562	4	110.6352	0.316	4	110.6352	0.316	4	110.6352	0.316	4	110.6352	0.316	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5,5,6,6]	4:3:4:4:	4:3:3:4:	4:4:3:4:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	110.5035	0.584	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5,5,6,6]	4:4:3:4:	4:3:3:1:	4:3:4:4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	110.5035	0.584	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5,5,6]	4:4:3:2:	4:4:3:1:	4:3:3:4:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	115.1320	12.410	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[3x6]	C[5,5,6]	4:4:3:3:	4:4:4:4:	4:3:4:2:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	115.1320	12.410	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[3x5,5x6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2{4|C<3>,5|C<4>,5|H<1>}	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[3x5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]2C[5,5,3x6])(C[3x5,6]C[4x5,3x6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(H){5|H<1>,9|C<4>}	112.5285	0.022	2	112.5285	0.000	2	112.5285	0.000	2	111.6550	1.018	4	111.6550	1.018	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6]-4:H-1:	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H)	C[5,5,6,6](C[3x5,6,6]C[4x5,3x6]C[3x5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,7|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	C[3x5,6,6](C[4x5,3x6]C[4x5,3x6]C[5,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]H)(C[3x5,6]C[3x5,6]2H)(H){7|C<4>,7|H<1>}	110.7815	0.032	2	110.7815	0.001	2	110.7815	0.001	2	111.6550	1.018	4	111.6550	1.018	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:2:2:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,3x6]	4:3:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	115.5830	0.000	2	115.4622	0.070	4	115.4622	0.070	4	115.4622	0.070	4	113.7936	6.908	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,3x6]	4:3:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	115.3415	0.391	2	115.4622	0.070	4	115.4622	0.070	4	115.4622	0.070	4	113.7936	6.908	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,3x6]	4:4:2:3:	4:3:4:1:	4:4:4:1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	113.5630	0.000	1	113.5630	0.000	1	113.1445	0.350	2	113.1445	0.350	2	113.7936	6.908	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,3x6]	4:4:2:3:	4:3:4:1:	4:4:4:1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]C[6,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	112.7260	0.000	1	112.7260	0.000	1	113.1445	0.350	2	113.1445	0.350	2	113.7936	6.908	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]OO)(C[5]O[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	113.7936	6.908	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2H)(C[5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	113.9644	0.422	12	113.9644	0.178	12	114.0541	0.204	14	114.0541	0.204	14	114.1592	2.871	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:H-1:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]H)2(C[6,6]C[5,5,4x6]HH)(H){2|H<1>,2|I<1>,3|C<4>}	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,3x6]C[5,5,3x6]2I)(C[5,6]C[5,6]H)(H){1|I<1>,3|C<4>,5|H<1>}	114.5920	0.102	2	114.5920	0.010	2	114.0541	0.204	14	114.0541	0.204	14	114.1592	2.871	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:3:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	112.9710	0.000	1	112.9710	0.000	1	116.4150	23.722	2	116.4150	23.722	2	114.1592	2.871	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:3:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	119.8590	0.000	1	119.8590	0.000	1	116.4150	23.722	2	116.4150	23.722	2	114.1592	2.871	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,5,6,6]-4:C[6,6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6]H)(C[5,5,6]C[5,6]2O)(C[6]C[5,6]HH){10|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	114.1592	2.871	17	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:2:2:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:C-4:	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:3:2:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3){2|C<4>,5|H<1>}	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2{2|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{3|C<3>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	112.6880	0.000	1	113.2490	0.629	2	113.5288	0.442	4	113.5288	0.442	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{4|C<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	113.8100	0.000	1	113.2490	0.629	2	113.5288	0.442	4	113.5288	0.442	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,3|C<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.3710	0.000	1	113.8085	0.383	2	113.5288	0.442	4	113.5288	0.442	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<2>,2|C<3>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,4|C<3>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.2460	0.000	1	113.8085	0.383	2	113.5288	0.442	4	113.5288	0.442	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|C<4>,8|H<1>}	110.4175	0.479	2	110.4175	0.229	2	110.4175	0.229	2	111.1148	0.807	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C)	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C){10|H<1>,1|C<3>,2|C<4>}	111.8120	0.496	2	111.8120	0.246	2	111.8120	0.246	2	111.1148	0.807	4	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	112.2910	0.663	2	112.2910	0.440	2	112.2910	0.440	2	112.2910	0.440	2	113.1559	6.658	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6])	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5,6]HH)(O[5,6]C[5,6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:N-3:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<2>,2|C<3>,2|O<1>,7|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]O)(NCH){2|C<3>,3|C<4>,4|H<1>}	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	112.1565	1.228	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{4|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO){2|C<3>,3|C<4>,4|H<1>}	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	112.4285	0.064	2	112.1565	1.228	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N-3:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,3|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH){2|C<3>,3|C<4>,4|H<1>}	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	112.4285	0.064	2	112.1565	1.228	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{3|C<3>,6|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	112.1565	1.228	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6,6]	4:3:4:3:	4:4:4:4:	4:4:2:4:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C[5]-4:	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH)	C[5,5,6,6](C[3x5,6,6]C[5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(C[5]O[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH){2|H<1>,3|O<1>,4|C<4>}	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[3x5,6]	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5])	C[5,5,6,6](C[3x5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5]){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:2:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	112.9547	0.200	3	112.9547	0.040	3	112.9547	0.040	3	114.0980	2.472	5	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:2:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	115.8460	0.000	1	115.8460	0.000	1	115.8130	0.002	2	114.0980	2.472	5	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:2:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|S<2>,2|C<3>,7|H<1>}	115.7800	0.000	1	115.7800	0.000	1	115.8130	0.002	2	114.0980	2.472	5	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	113.6415	0.329	2	113.4827	0.130	3	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	113.1650	0.000	1	113.4827	0.130	3	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	113.2390	0.000	1	113.2390	0.000	1	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	113.7030	0.550	2	113.7030	0.303	2	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	113.7655	0.185	2	113.6453	0.060	3	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|N<3>,3|C<3>,7|H<1>}	113.4050	0.000	1	113.6453	0.060	3	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	114.0860	0.000	1	114.0860	0.000	1	113.6115	0.124	10	113.6115	0.124	10	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:3:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(COO)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(COO){1|N<3>,2|C<3>,8|H<1>}	113.7002	1.150	4	113.7002	1.324	4	113.7002	1.324	4	113.7002	1.324	4	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3){1|N<3>,2|C<3>,8|H<1>}	113.6370	1.195	2	113.6370	1.428	2	114.0719	0.975	8	114.0719	0.975	8	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:2:3:4:	4:3:1:1:	4:4:4:4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:C-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,6]O[5,5]C[6])2(C[5,5,6,6]C[5,5,6]2C)(CF3){1|N<3>,2|C<3>,8|H<1>}	114.2168	0.989	6	114.2168	0.978	6	114.0719	0.975	8	114.0719	0.975	8	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:4:2:4:	4:2:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	113.3705	0.456	2	113.1340	0.272	3	113.1340	0.272	3	113.1340	0.272	3	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:4:2:4:	4:2:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	112.6610	0.000	1	113.1340	0.272	3	113.1340	0.272	3	113.1340	0.272	3	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,5,6,6]C[5,5,6]2H)(H){1|C<4>,1|N<3>,2|C<3>,8|H<1>}	113.6405	0.680	2	113.6405	0.462	2	113.6405	0.462	2	113.6405	0.462	2	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,3x6]	4:4:3:4:	4:3:3:1:	4:3:2:4:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	113.5812	1.986	33	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,4x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	112.8290	4.737	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,4x6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	112.8290	4.737	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:3:3:4:	4:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]N[5,6]2C[6])(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	113.2825	0.042	2	113.2825	0.002	2	113.2825	0.002	2	113.2825	0.002	2	113.9487	1.694	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	116.1340	0.000	1	116.1340	0.000	1	116.1340	0.000	1	116.1340	0.000	1	113.9487	1.694	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:3:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	114.7555	0.136	2	114.7555	0.019	2	114.7555	0.019	2	114.7555	0.019	2	113.9487	1.694	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:3:2:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	113.9487	1.694	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:3:3:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	113.9487	1.694	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:3:3:4:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:2:1:	4:4:2:2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	108.3520	0.723	2	108.4240	0.465	4	108.4240	0.465	4	108.4240	0.465	4	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	109.1490	0.000	1	108.4240	0.465	4	108.4240	0.465	4	108.4240	0.465	4	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	107.8430	0.000	1	108.4240	0.465	4	108.4240	0.465	4	108.4240	0.465	4	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	111.9014	12.165	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:2:4:	4:3:4:1:	4:3:4:1:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:2:4:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:2:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:S-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:3:4:	4:4:1:1:	4:3:4:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:S[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(S[6]O[6]OO)(H){1|C<3>,1|C<4>,4|H<1>}	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:3:4:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:3:4:	4:4:2:1:	4:4:3:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:2:4:4:	4:3:1:1:	4:3:3:4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-3:Cl-1:Cl-1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:2:4:1:	4:4:4:1:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:O[6]-2:C-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH)	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H)	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH){1|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	114.7295	0.043	2	114.7295	0.002	2	114.7295	0.002	2	114.7295	0.002	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	117.4340	0.000	1	118.0850	0.848	2	118.0850	0.848	2	118.0850	0.848	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,5|H<1>}	118.7360	0.000	1	118.0850	0.848	2	118.0850	0.848	2	118.0850	0.848	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.7745	1.142	2	118.7745	1.304	2	118.7745	1.304	2	117.2080	8.014	3	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<2>,2|O<2>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	117.2080	8.014	3	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	110.8630	1.310	2	110.8630	1.715	2	110.8630	1.715	2	110.8630	1.715	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:3:4:	4:3:2:1:	4:3:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	110.3994	0.537	8	110.3994	0.288	8	110.3994	0.288	8	110.3994	0.288	8	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:3:4:	4:3:4:1:	4:2:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	112.8655	0.419	2	112.8655	0.176	2	112.8655	0.176	2	112.8655	0.176	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:4:1:	4:2:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	113.0750	0.219	2	113.0750	0.048	2	113.0750	0.048	2	113.0750	0.048	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	110.1510	0.132	2	110.1510	0.017	2	110.1510	0.017	2	110.1510	0.017	2	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:4:	4:3:4:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	113.7428	7.702	40	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[3x6]	C[5,5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[3x6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[6,6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	115.6520	7.061	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6,6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){1|O<1>,4|C<4>,4|H<1>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	115.6520	7.061	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6]	4:4:2:2:	4:4:2:1:	4:4:4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5]){2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	114.4600	0.000	2	114.4600	0.000	2	114.5970	0.025	4	114.5970	0.025	4	114.2415	0.570	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6]	4:4:2:2:	4:4:2:1:	4:4:4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.7340	0.000	2	114.7340	0.000	2	114.5970	0.025	4	114.5970	0.025	4	114.2415	0.570	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6]	4:4:3:2:	4:3:4:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	114.2415	0.570	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6,6]	C[5,5,6]	4:4:3:2:	4:4:3:1:	4:3:4:4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	114.2415	0.570	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6]	4:3:4:4:	4:3:2:1:	4:4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	110.8210	7.752	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6]	4:4:3:2:	4:4:1:1:	4:4:2:3:	C[3x5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-3:	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,5,6](C[3x5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	109.6470	0.133	2	109.6470	0.018	2	109.6470	0.018	2	109.6470	0.018	2	110.8210	7.752	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[3x5,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[3x5,6]-4:C[3,5,5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	109.5150	0.471	2	109.5150	0.222	2	109.5150	0.222	2	109.5150	0.222	2	110.8210	7.752	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[4x5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[4x5,3x6]-4:C[3x5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,5,6]-4:C[3x5,3x6]-4:O[5,6]-2:	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6])	C[5,5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]O[5,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6]){1|O<1>,4|C<4>,8|H<1>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:3:3:4:	4:4:1:1:	4:4:3:2:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5a,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|N<3>,3|C<4>,4|C<3>}	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:3:4:4:	4:4:2:1:	4:4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:3:3:	4:4:1:1:	4:3:3:4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6]-4:	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH)	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[6]N[5]2)(N[5,6]C[5]C[6])2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,2|C<2>,2|O<2>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:4:1:1:	4:4:3:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[5,6]C[5,6]O)(COO)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(C[6]C[5,6]HH)(CCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[5,6]C[5,6]O)(COO){2|C<4>,8|H<1>}	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5]C[6]N[5])(C[5,5,6]C[5,6]C[5]2)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|O<1>,3|O<2>,4|C<4>,8|H<1>}	111.6750	0.226	2	111.6750	0.051	2	111.6750	0.051	2	111.6750	0.051	2	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.9730	0.024	2	109.9730	0.001	2	109.9730	0.001	2	109.9730	0.001	2	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:2:1:	4:4:3:2:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3){2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	112.0249	5.709	18	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|O<2>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2{4|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:4:4:4:	4:4:1:1:	4:3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	112.2990	0.000	1	112.2990	0.000	1	112.4570	0.050	2	112.4570	0.050	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:4:4:4:	4:4:1:1:	4:3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,2|C<3>,8|H<1>}	112.6150	0.000	1	112.6150	0.000	1	112.4570	0.050	2	112.4570	0.050	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:4:4:4:	4:4:3:1:	4:3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	3:4:4:4:	4:4:4:1:	4:3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,7|H<1>}	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:2:4:	4:3:1:1:	4:3:2:4:	C[5,5,6]-4:C[5,6a]-3:N[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	113.2075	0.170	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:2:4:	4:3:1:1:	4:3:2:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-2:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.2075	0.170	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:2:4:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	114.6885	2.487	2	114.6885	6.185	2	114.2013	3.804	3	114.2013	3.804	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:2:4:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<4>,4|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	113.2270	0.000	1	113.2270	0.000	1	114.2013	3.804	3	114.2013	3.804	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:3:4:	4:3:1:1:	4:3:2:4:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<4>,4|H<1>,5|C<3>}	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:3:4:	4:4:1:1:	4:3:2:4:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	114.0265	2.546	2	114.0265	6.484	2	114.0265	6.484	2	114.0265	6.484	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:3:4:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:2:	4:3:4:1:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:2:	4:4:2:1:	4:3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	113.8620	0.792	2	113.8620	0.627	2	113.8620	0.627	2	113.8620	0.627	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[3,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH){1|C<4>,4|C<3>,6|H<1>}	112.6120	0.000	1	112.6120	0.000	1	112.6120	0.000	1	114.8426	7.753	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	119.1540	0.000	1	119.1540	0.000	1	115.4002	8.265	4	114.8426	7.753	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	112.3840	0.000	1	114.1160	6.000	2	115.4002	8.265	4	114.8426	7.753	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	115.8480	0.000	1	114.1160	6.000	2	115.4002	8.265	4	114.8426	7.753	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	114.2150	0.000	1	114.2150	0.000	1	115.4002	8.265	4	114.8426	7.753	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	4:3:4:2:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.7160	0.000	1	111.7160	0.000	1	111.7160	0.000	1	111.7160	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	107.8880	0.000	1	107.3977	0.211	3	107.3977	0.211	3	107.3977	0.211	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.1525	0.248	2	107.3977	0.211	3	107.3977	0.211	3	107.3977	0.211	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.1163	0.410	4	112.0703	0.281	72	112.0880	0.285	74	112.0880	0.285	74	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	112.0634	0.545	66	112.0703	0.281	72	112.0880	0.285	74	112.0880	0.285	74	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<2>,3|C<4>,4|H<1>}	112.2055	0.250	2	112.0703	0.281	72	112.0880	0.285	74	112.0880	0.285	74	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|C<4>,2|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]H)2{2|O<1>,3|C<4>,4|H<1>}	112.6280	0.000	1	112.6280	0.000	1	112.0880	0.285	74	112.0880	0.285	74	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:3:3:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]H)2{2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|C<4>,2|O<1>,6|H<1>}	112.8230	0.000	1	112.8230	0.000	1	112.0880	0.285	74	112.0880	0.285	74	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	112.1330	0.091	2	112.1330	0.008	2	112.1330	0.008	2	112.1330	0.008	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	112.0708	0.884	4	112.0708	0.781	4	112.0708	0.781	4	112.0708	0.781	4	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-2:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5]){2|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[5]C[5]Br2)(C[6]C[6]HH)(N[5]C[5]){2|Br<1>,1|C<4>,2|C<3>,4|H<1>}	116.1965	0.894	2	116.1965	0.800	2	116.1965	0.800	2	116.1965	0.800	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:3:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:4:3:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	116.8597	0.215	3	116.8597	0.046	3	117.7881	1.124	7	117.7881	1.124	7	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	118.2580	0.869	3	118.2580	0.755	3	117.7881	1.124	7	117.7881	1.124	7	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	119.1640	0.000	1	119.1640	0.000	1	117.7881	1.124	7	117.7881	1.124	7	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:2:2:1:	4:4:2:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	115.3800	0.000	2	115.3800	0.000	2	115.1995	0.043	4	115.1995	0.043	4	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:2:2:1:	4:4:2:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5])	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(O[5]N[5]){2|O<1>,2|O<2>,3|C<4>,4|H<1>}	115.0190	0.000	2	115.0190	0.000	2	115.1995	0.043	4	115.1995	0.043	4	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:1:1:	3:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	114.7790	0.000	1	114.7790	0.000	1	114.7790	0.000	1	115.3615	0.679	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:1:1:	3:4:4:3:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:Br-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	115.9440	0.000	1	115.9440	0.000	1	115.9440	0.000	1	115.3615	0.679	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<2>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	112.5955	0.190	2	112.7303	0.073	3	112.7303	0.073	3	112.7303	0.073	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	113.0000	0.000	1	112.7303	0.073	3	112.7303	0.073	3	112.7303	0.073	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.1080	0.000	1	114.1080	0.000	1	114.7403	0.470	3	114.7403	0.470	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H){1|O<1>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	115.0565	0.583	2	115.0565	0.340	2	114.7403	0.470	3	114.7403	0.470	3	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C[5]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5,5,6](C[5,5,6]C[5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	114.5420	0.000	1	114.5420	0.000	1	114.5145	0.002	2	114.5145	0.002	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,8|H<1>}	114.4870	0.000	1	114.4870	0.000	1	114.5145	0.002	2	114.5145	0.002	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:2:1:1:	3:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|O<2>,3|C<3>}	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:2:2:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<2>,2|O<2>,6|H<1>}	110.7550	0.000	1	110.7550	0.000	1	110.7550	0.000	1	110.7550	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2	C[5,5,6](C[3,6]C[3,6]C[3]C)(C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[3,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[3,6]C[3,6]C[3]C)(C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	115.9202	1.072	9	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<4>,2|C<3>,2|O<2>}	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.9202	1.072	9	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	116.1684	0.964	7	116.1684	0.930	7	116.1684	0.930	7	115.9202	1.072	9	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:3:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|S<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	111.7295	0.723	2	111.7295	0.523	2	111.7295	0.523	2	111.7295	0.523	2	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,9|H<1>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	113.7308	3.472	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[6]C[6]CC)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	113.5420	0.000	1	113.5420	0.000	1	112.5880	1.820	2	113.7308	3.472	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	111.6340	0.000	1	111.6340	0.000	1	112.5880	1.820	2	113.7308	3.472	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|O<1>,1|O<2>,3|C<4>}	115.6210	0.279	2	115.6210	0.078	2	115.6210	0.078	2	113.7308	3.472	5	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]N[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){10|H<1>,1|C<4>}	113.9165	1.660	4	113.9165	2.756	4	113.9165	2.756	4	113.7819	1.606	8	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	113.6710	1.621	2	113.6710	2.627	2	113.6710	2.627	2	113.7819	1.606	8	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)2{1|C<4>,4|O<2>,8|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){11|H<1>,1|C<4>,1|O<2>}	113.6235	0.448	2	113.6235	0.200	2	113.6235	0.200	2	113.7819	1.606	8	113.0493	4.144	164	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:2:3:3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	110.3900	0.000	1	109.9640	0.181	3	109.9640	0.181	3	109.9640	0.181	3	109.9640	0.181	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:2:3:3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(C[5,5]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	109.7510	0.300	2	109.9640	0.181	3	109.9640	0.181	3	109.9640	0.181	3	109.9640	0.181	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.7963	9.468	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	111.8505	4.349	2	111.8505	18.917	2	111.8505	18.917	2	111.7963	9.468	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:Br-1:	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br)	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br){2|C<3>,2|C<4>,4|H<1>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:3:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.5120	1.824	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<1>,3|C<4>,4|H<1>}	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.5120	1.824	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H)	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,6|H<1>}	111.6005	0.312	2	111.6005	0.097	2	111.6005	0.097	2	111.6005	0.097	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:3:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	115.4570	0.000	1	115.4570	0.000	1	115.4570	0.000	1	115.4570	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.8015	0.149	2	114.8015	0.022	2	114.8015	0.022	2	114.8015	0.022	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	116.0087	0.236	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.7510	0.272	2	115.7510	0.074	2	115.7510	0.074	2	116.0087	0.236	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:4:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	111.4995	0.509	4	111.4995	0.259	4	111.3483	0.219	6	111.3483	0.219	6	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:4:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	111.1940	0.000	1	111.0460	0.044	2	111.3483	0.219	6	111.3483	0.219	6	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:3:4:2:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[5,5,6](C[5,6]C[6,6]C[5]O)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	110.8980	0.000	1	111.0460	0.044	2	111.3483	0.219	6	111.3483	0.219	6	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	114.1260	0.000	1	114.1260	0.000	1	113.6455	0.462	2	113.6455	0.462	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,5]C[5]2O)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.1650	0.000	1	113.1650	0.000	1	113.6455	0.462	2	113.6455	0.462	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	108.9760	0.366	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.9760	0.366	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	112.7435	0.078	2	112.7435	0.006	2	112.7435	0.006	2	112.7435	0.006	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	110.8750	0.000	1	110.8750	0.000	1	110.2347	1.530	3	110.2347	1.530	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	108.8090	0.000	1	108.8090	0.000	1	110.2347	1.530	3	110.2347	1.530	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	111.0200	0.000	1	111.0200	0.000	1	110.2347	1.530	3	110.2347	1.530	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,4|H<1>,6|C<4>}	105.0355	2.560	2	105.0355	6.556	2	106.7292	6.062	4	106.7292	6.062	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	108.1450	0.000	1	108.4230	0.155	2	106.7292	6.062	4	106.7292	6.062	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	108.7010	0.000	1	108.4230	0.155	2	106.7292	6.062	4	106.7292	6.062	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	111.8670	0.065	2	111.8670	0.004	2	111.8670	0.004	2	111.8670	0.004	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:3:4:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	114.2800	0.004	2	114.2800	0.000	2	114.2800	0.000	2	114.2800	0.000	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	107.7230	0.000	1	107.7230	0.000	1	107.7628	0.306	5	107.7628	0.306	5	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	107.7710	0.000	1	107.8380	0.586	3	107.7628	0.306	5	107.7628	0.306	5	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	107.8715	1.080	2	107.8380	0.586	3	107.7628	0.306	5	107.7628	0.306	5	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	107.5770	0.000	1	107.5770	0.000	1	107.7628	0.306	5	107.7628	0.306	5	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	109.2323	5.634	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	109.2323	5.634	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	109.2323	5.634	3	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	109.8850	0.000	1	110.7920	1.645	2	110.5932	0.787	4	110.5932	0.787	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	111.6990	0.000	1	110.7920	1.645	2	110.5932	0.787	4	110.5932	0.787	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	110.3945	0.747	2	110.3945	0.559	2	110.5932	0.787	4	110.5932	0.787	4	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:4:4:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(C[6]C[3,6]CH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.5680	0.028	2	114.5680	0.001	2	114.5680	0.001	2	114.5680	0.001	2	111.0763	7.585	60	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[4x6]	C[5,3x6]	4:4:4:3:	4:4:2:2:	4:4:2:1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	107.1620	3.570	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[4x6]	C[5,3x6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	107.1620	3.570	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[5x6]	C[5,4x6]	4:4:4:3:	4:4:3:1:	4:4:3:3:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	107.6325	0.756	4	107.6325	0.571	4	107.6325	0.571	4	107.6325	0.571	4	107.6325	0.571	4	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	113.9770	0.286	2	113.9770	0.082	2	114.3510	0.460	3	113.6585	2.225	4	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	115.0990	0.000	1	115.0990	0.000	1	114.3510	0.460	3	113.6585	2.225	4	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	113.6585	2.225	4	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	111.6290	0.103	2	111.6290	0.011	2	111.6290	0.011	2	111.6290	0.011	2	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	112.1080	0.000	2	112.1080	0.000	2	112.1080	0.000	2	112.8155	0.667	4	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	113.5230	0.000	2	113.5230	0.000	2	113.5230	0.000	2	112.8155	0.667	4	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	109.4010	0.000	2	109.4010	0.000	2	109.4010	0.000	2	108.4665	0.611	6	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	108.2530	0.000	2	108.2530	0.000	2	107.9993	0.145	4	108.4665	0.611	6	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	107.7455	0.422	2	107.7455	0.178	2	107.9993	0.145	4	108.4665	0.611	6	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]O)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.6730	1.049	2	109.6730	1.101	2	109.6730	1.101	2	109.6730	1.101	2	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	110.0750	0.384	2	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	110.0750	0.384	2	110.9725	5.221	20	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,5x6]	C[6,6]	C[5,5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[4,5,4x6]-4:C[5,5,4x6]-4:C[6,6]-4:H-1:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:2:1:	4:4:4:1:	4:4:2:2:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	110.4977	0.269	4	110.4977	0.073	4	110.4977	0.073	4	110.4977	0.073	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:2:4:	4:4:4:1:	4:4:4:3:	C[5,3x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3)	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H)	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,9|H<1>}	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[3x6]O[5]C)(C[6,6]C[3x6]HH)2(N[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:1:	4:4:2:1:	3:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	106.4893	0.209	3	106.4893	0.043	3	106.4893	0.043	3	106.4893	0.043	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:1:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	108.3610	0.000	1	108.3610	0.000	1	107.8457	0.139	4	107.8457	0.139	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:1:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<2>,2|O<1>,5|C<4>,5|H<1>}	107.6740	0.178	3	107.6740	0.032	3	107.8457	0.139	4	107.8457	0.139	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:1:	4:4:4:1:	4:4:4:2:	C[5,3x6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H)	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5])	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,2|C<4>,8|H<1>}	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[3x6]N[5]H)(C[6,6]C[3x6]HH)2(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:2:	4:4:2:1:	4:4:3:2:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:2:	4:4:2:2:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6])	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.4425	0.214	2	106.4425	0.046	2	106.4425	0.046	2	106.4425	0.046	2	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:4:	4:4:2:2:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	108.4390	0.000	1	108.4390	0.000	1	108.2730	0.055	2	108.3155	0.067	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:4:	4:4:2:2:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	108.1070	0.000	1	108.1070	0.000	1	108.2730	0.055	2	108.3155	0.067	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:4:	4:4:2:2:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[4x6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(C[4x6]C[6,6]3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	108.3580	0.373	2	108.3580	0.139	2	108.3580	0.139	2	108.3155	0.067	4	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[4x6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5]C)(C[4x6]C[6,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<2>,3|C<4>,7|H<1>}	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	3:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	3:4:4:2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	106.6290	0.413	2	106.6290	0.171	2	106.5383	0.110	3	106.5383	0.110	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HO)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	106.3570	0.000	1	106.3570	0.000	1	106.5383	0.110	3	106.5383	0.110	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	106.9870	0.000	1	107.2030	0.093	2	107.2330	0.049	3	107.2330	0.049	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	107.4190	0.000	1	107.2030	0.093	2	107.2330	0.049	3	107.2330	0.049	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	107.2930	0.000	1	107.2930	0.000	1	107.2330	0.049	3	107.2330	0.049	3	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]C[5]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,7|H<1>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H)	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH)	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(C[5]N[5,5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	107.8604	2.148	32	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:3:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	108.2770	0.034	2	108.2770	0.001	2	108.4516	0.172	5	108.4516	0.172	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:3:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	108.1130	0.000	1	108.1130	0.000	1	108.4516	0.172	5	108.4516	0.172	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:3:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	108.7955	0.525	2	108.7955	0.276	2	108.4516	0.172	5	108.4516	0.172	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:4:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	108.1390	0.000	1	108.1390	0.000	1	108.9254	2.163	5	108.9254	2.163	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:4:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	108.9730	0.000	1	109.1220	2.627	4	108.9254	2.163	5	108.9254	2.163	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:1:	4:4:4:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	109.1717	1.981	3	109.1220	2.627	4	108.9254	2.163	5	108.9254	2.163	5	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,4x6]	4:4:2:4:	4:4:3:2:	3:4:4:4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	108.4831	1.454	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[5,5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]O)(C[3x6]C[6,6]O[6,6]H)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	108.6628	0.289	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	108.6628	0.289	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	108.5990	0.352	2	108.5990	0.124	2	108.5990	0.124	2	108.5990	0.124	2	108.6628	0.289	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]O)(H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	108.2720	0.000	1	108.2720	0.000	1	108.7950	0.547	2	108.7950	0.547	2	108.6628	0.289	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,4|H<1>}	109.3180	0.000	1	109.3180	0.000	1	108.7950	0.547	2	108.7950	0.547	2	108.6628	0.289	6	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:3:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:N-3:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:4:	4:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:4:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:4:4:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	109.5130	0.038	2	109.5130	0.001	2	109.5130	0.001	2	109.5130	0.001	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	3:4:3:1:	4:4:2:3:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	3:4:4:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.9575	0.842	2	109.9575	0.709	2	109.9575	0.709	2	109.9575	0.709	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	108.1537	0.627	3	108.1537	0.393	3	108.1537	0.393	3	108.1537	0.393	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:3:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	109.2150	0.072	2	109.2150	0.005	2	109.6677	0.617	3	109.6677	0.617	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:3:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.5730	0.000	1	110.5730	0.000	1	109.6677	0.617	3	109.6677	0.617	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	109.6190	0.010	2	109.6190	0.000	2	110.0303	0.508	3	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	110.8530	0.000	1	110.8530	0.000	1	110.0303	0.508	3	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	109.6565	0.146	4	109.6565	0.021	4	109.6565	0.021	4	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	110.7055	0.049	2	110.7055	0.002	2	110.5965	0.023	6	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	110.6755	0.071	2	110.5420	0.026	4	110.5965	0.023	6	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	110.3970	0.000	1	110.5420	0.026	4	110.5965	0.023	6	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	110.4200	0.000	1	110.5420	0.026	4	110.5965	0.023	6	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	110.1577	0.266	14	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:4:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	110.8570	0.240	2	110.8570	0.058	2	110.8570	0.058	2	111.6785	1.763	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:4:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	111.3750	0.000	1	112.5000	2.531	2	112.5000	2.531	2	111.6785	1.763	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:3:4:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	113.6250	0.000	1	112.5000	2.531	2	112.5000	2.531	2	111.6785	1.763	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	107.4353	0.222	3	107.4353	0.049	3	107.4353	0.049	3	107.4353	0.049	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H)	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[5,6,6]C[3x6]O[5]H)(C[5]N[5]Br)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:2:	4:4:3:1:	4:4:2:4:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:3:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:2:4:	4:4:3:1:	4:4:2:2:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	109.3655	0.627	2	109.3655	0.393	2	109.3655	0.393	2	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.0060	0.365	2	110.0060	0.133	2	110.0060	0.133	2	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	109.2240	0.000	1	109.9315	0.201	8	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.1200	0.320	6	109.9315	0.201	8	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	109.5080	0.000	1	109.9315	0.201	8	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.8190	0.368	2	109.9390	0.157	88	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	110.0120	0.000	1	109.9390	0.157	88	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	110.1925	0.314	4	109.9390	0.157	88	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	109.9066	0.408	71	109.9390	0.157	88	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	110.0841	0.332	10	109.9390	0.157	88	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	109.9930	0.000	1	109.9930	0.000	1	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	111.1190	0.000	1	111.1190	0.000	1	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	110.1680	0.000	2	110.1680	0.000	2	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	109.9285	0.220	2	109.8120	0.193	7	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	109.8468	0.559	4	109.8120	0.193	7	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	109.4400	0.000	1	109.8120	0.193	7	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	109.0020	0.000	1	109.0020	0.000	1	109.9372	0.175	108	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	109.5470	0.400	4	109.5470	0.160	4	109.5470	0.160	4	109.9151	0.182	116	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	110.1195	0.780	2	110.1195	0.608	2	110.1557	0.308	3	110.2886	0.372	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	110.2280	0.000	1	110.2280	0.000	1	110.1557	0.308	3	110.2886	0.372	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	109.8800	0.000	1	109.8800	0.000	1	110.4880	0.739	2	110.2886	0.372	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|O<1>,1|P<2>,4|C<3>}	111.0960	0.000	1	111.0960	0.000	1	110.4880	0.739	2	110.2886	0.372	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:3:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	110.9970	0.346	2	110.9970	0.120	2	110.9970	0.120	2	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	110.5720	0.334	2	110.5720	0.111	2	110.5720	0.111	2	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	110.7913	0.263	3	110.7913	0.069	3	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	110.6600	0.020	2	110.6600	0.000	2	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	110.7225	0.309	2	110.7225	0.095	2	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	110.7660	0.000	1	111.0290	0.138	2	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	111.2920	0.000	1	111.0290	0.138	2	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	110.4820	0.000	2	110.4820	0.000	2	110.7419	0.069	11	110.7533	0.079	15	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:3:4:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	110.9180	0.038	2	110.9180	0.001	2	110.9180	0.001	2	110.9180	0.001	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5466	0.125	8	109.5466	0.125	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	109.5325	0.045	2	109.5484	0.146	7	109.5466	0.125	8	109.5466	0.125	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	110.0710	0.000	1	109.5484	0.146	7	109.5466	0.125	8	109.5466	0.125	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	109.4257	0.424	4	109.5484	0.146	7	109.5466	0.125	8	109.5466	0.125	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.2880	0.731	2	110.2880	0.535	2	110.2880	0.535	2	110.0580	0.255	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	109.8280	0.134	2	109.8280	0.018	2	109.8280	0.018	2	110.0580	0.255	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	3:4:4:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	111.3615	1.216	4	111.3615	1.479	4	111.3615	1.479	4	111.3615	1.479	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	108.2695	0.132	2	108.2695	0.017	2	108.2695	0.017	2	108.2793	0.009	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.2793	0.009	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:2:3:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	109.2775	0.264	2	109.2775	0.070	2	109.2775	0.070	2	109.3685	1.373	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	109.3685	1.373	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.6530	0.000	1	107.6530	0.000	1	107.6530	0.000	1	109.3685	1.373	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.1370	0.000	1	110.1370	0.000	1	110.6060	0.440	2	109.3685	1.373	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.0750	0.000	1	111.0750	0.000	1	110.6060	0.440	2	109.3685	1.373	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	108.0415	0.651	2	108.0415	0.424	2	108.0415	0.424	2	108.0415	0.424	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	106.7202	0.562	4	106.6914	0.241	5	106.6914	0.241	5	106.6914	0.241	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.5760	0.000	1	106.6914	0.241	5	106.6914	0.241	5	106.6914	0.241	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:4:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.5630	0.000	1	111.5630	0.000	1	110.5525	2.042	2	110.5525	2.042	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:3:4:4:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	109.5420	0.000	1	109.5420	0.000	1	110.5525	2.042	2	110.5525	2.042	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:2:1:	4:3:4:4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:4:3:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:N-3:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:4:4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.5875	0.388	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:4:4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	110.5875	0.388	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.5795	0.029	2	109.5795	0.001	2	109.6530	0.035	6	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.6898	0.230	4	109.6898	0.053	4	109.6530	0.035	6	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.8610	0.000	1	109.6830	0.063	2	109.6830	0.063	2	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	109.5050	0.000	1	109.6830	0.063	2	109.6830	0.063	2	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.3790	0.786	8	109.4391	0.471	12	109.5871	0.388	17	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.5593	0.507	4	109.4391	0.471	12	109.5871	0.388	17	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.5871	0.388	17	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.9838	0.179	4	109.9838	0.032	4	109.5871	0.388	17	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	110.2650	0.048	2	110.2650	0.002	2	110.2650	0.002	2	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.8500	0.519	4	110.8500	0.270	4	110.6912	0.468	6	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.1570	0.000	1	111.1570	0.000	1	110.6912	0.468	6	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.5900	0.000	1	109.5900	0.000	1	110.6912	0.468	6	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	107.9210	0.000	1	108.5475	0.785	2	109.2125	0.909	4	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	109.1740	0.000	1	108.5475	0.785	2	109.2125	0.909	4	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.8775	0.416	2	109.8775	0.173	2	109.2125	0.909	4	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.7460	0.105	2	109.6840	0.080	4	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.6220	0.461	2	109.6840	0.080	4	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	109.4360	0.088	2	109.4360	0.008	2	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	109.4775	0.377	2	109.4775	0.142	2	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.6040	0.000	1	109.6040	0.000	1	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.2450	0.000	1	109.2450	0.000	1	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.7675	0.265	2	109.7675	0.070	2	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.7870	0.000	1	110.7870	0.000	1	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.7670	0.000	1	110.7670	0.000	1	109.7501	0.247	14	109.8099	0.525	53	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	107.7185	0.223	2	107.7185	0.050	2	107.7185	0.050	2	109.0579	1.295	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.0579	1.295	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.0579	1.295	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	108.7905	0.518	2	108.7905	0.269	2	109.6763	1.236	4	109.0579	1.295	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.5620	0.549	2	110.5620	0.301	2	109.6763	1.236	4	109.0579	1.295	8	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	110.0150	0.000	1	110.0150	0.000	1	109.0593	0.296	6	109.0593	0.296	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	108.6440	0.000	1	108.6440	0.000	1	109.0593	0.296	6	109.0593	0.296	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	109.1680	0.280	2	109.1680	0.078	2	109.0593	0.296	6	109.0593	0.296	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	108.7340	0.000	1	108.6805	0.006	2	109.0593	0.296	6	109.0593	0.296	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:2:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	108.6270	0.000	1	108.6805	0.006	2	109.0593	0.296	6	109.0593	0.296	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:3:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.8780	0.140	2	109.8780	0.020	2	109.8780	0.020	2	109.8780	0.020	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.6934	0.163	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	110.4390	0.486	2	110.4390	0.237	2	110.7395	0.203	4	110.6934	0.163	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	111.0400	0.105	2	111.0400	0.011	2	110.7395	0.203	4	110.6934	0.163	5	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	111.3460	0.000	1	111.2553	0.261	3	111.2553	0.261	3	111.2553	0.261	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	111.2100	0.714	2	111.2553	0.261	3	111.2553	0.261	3	111.2553	0.261	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	109.9410	0.000	1	109.9410	0.000	1	109.8520	0.277	7	109.8520	0.277	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	109.5005	1.023	2	109.5005	1.047	2	109.8520	0.277	7	109.8520	0.277	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	110.0055	0.297	4	110.0055	0.088	4	109.8520	0.277	7	109.8520	0.277	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:3:4:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	108.8220	0.232	2	108.8220	0.054	2	108.8220	0.054	2	108.8220	0.054	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]CO)(H){1|O<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	108.1905	0.248	2	108.1905	0.062	2	108.7063	0.829	3	108.7063	0.829	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	3:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.7380	0.000	1	109.7380	0.000	1	108.7063	0.829	3	108.7063	0.829	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	3:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	109.2682	0.376	4	109.2985	0.098	6	109.2985	0.098	6	109.2985	0.098	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	3:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	109.3590	0.232	2	109.2985	0.098	6	109.2985	0.098	6	109.2985	0.098	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	3:3:4:2:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.7660	0.016	2	109.7660	0.000	2	109.7660	0.000	2	109.7660	0.000	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:3:4:4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	107.9180	0.000	1	107.9180	0.000	1	107.5295	0.302	2	107.5295	0.302	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]N[5]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	107.1410	0.000	1	107.1410	0.000	1	107.5295	0.302	2	107.5295	0.302	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	108.9390	0.000	1	108.9390	0.000	1	108.2387	0.387	3	108.2387	0.387	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	107.8885	0.196	2	107.8885	0.038	2	108.2387	0.387	3	108.2387	0.387	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.8392	0.296	4	109.8392	0.088	4	109.8392	0.088	4	109.8392	0.088	4	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	107.7055	0.398	2	107.7055	0.158	2	107.7055	0.158	2	107.7667	0.090	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.7667	0.090	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	108.1910	0.109	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.1910	0.109	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.3130	0.167	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	108.1695	0.213	2	108.1695	0.045	2	108.1695	0.045	2	108.3130	0.167	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	108.3400	0.000	1	108.3400	0.000	1	108.1967	0.151	3	108.3130	0.167	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]HO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.1250	0.520	2	108.1250	0.271	2	108.1967	0.151	3	108.3130	0.167	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	110.4835	0.346	2	110.4835	0.120	2	110.4835	0.120	2	110.4835	0.120	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.4245	0.227	2	109.4245	0.052	2	109.7807	0.406	3	109.3368	0.502	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	110.4930	0.000	1	110.4930	0.000	1	109.7807	0.406	3	109.3368	0.502	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	109.3368	0.502	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	109.4790	0.000	1	109.0420	0.382	2	109.0420	0.382	2	109.3368	0.502	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5,6]H)(C[5,6]O[5,6]C[6]H)(C[3x6]C[6,6]2H)(H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	108.6050	0.000	1	109.0420	0.382	2	109.0420	0.382	2	109.3368	0.502	6	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:3:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<2>,4|C<4>}	110.6710	0.000	1	110.7417	0.073	3	110.7417	0.073	3	110.7417	0.073	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]ClH)(H){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(H){1|Cl<1>,1|C<3>,2|C<2>,2|H<1>,3|C<4>}	110.7770	0.372	2	110.7417	0.073	3	110.7417	0.073	3	110.7417	0.073	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	110.2420	0.055	2	110.2420	0.003	2	110.2420	0.003	2	110.2524	0.361	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	110.2524	0.361	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	110.5640	0.301	4	110.5640	0.090	4	110.5640	0.090	4	110.2524	0.361	7	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	110.8190	0.000	1	110.8190	0.000	1	110.8095	0.000	2	110.8095	0.000	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<4>}	110.8000	0.000	1	110.8000	0.000	1	110.8095	0.000	2	110.8095	0.000	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	107.9570	0.000	1	107.7170	0.115	2	107.7170	0.115	2	107.7170	0.115	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	107.4770	0.000	1	107.7170	0.115	2	107.7170	0.115	2	107.7170	0.115	2	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){1|Br<1>,3|C<3>,4|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	107.3503	0.357	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	107.6860	0.194	2	107.6860	0.038	2	107.6860	0.038	2	107.3503	0.357	3	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6,6]	4:4:4:4:	4:4:3:4:	4:4:3:4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	109.6950	1.041	371	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	109.2927	0.477	3	108.6268	0.728	6	108.6268	0.728	6	108.6268	0.728	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	107.9455	0.725	2	108.6268	0.728	6	108.6268	0.728	6	108.6268	0.728	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[3x6]O)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	107.9920	0.000	1	108.6268	0.728	6	108.6268	0.728	6	108.6268	0.728	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	115.5750	0.368	2	115.6195	0.055	4	115.6195	0.055	4	114.6963	2.116	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	115.6640	0.150	2	115.6195	0.055	4	115.6195	0.055	4	114.6963	2.116	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	113.1580	0.000	1	113.1580	0.000	1	112.8500	0.190	2	114.6963	2.116	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]O[5,6]H)(H)2{3|H<1>,4|C<4>}	112.5420	0.000	1	112.5420	0.000	1	112.8500	0.190	2	114.6963	2.116	6	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:2:4:	4:4:3:2:	4:4:2:2:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	110.6350	0.057	2	110.6350	0.003	2	110.6350	0.003	2	110.6350	0.003	2	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	117.9030	0.027	2	117.9030	0.001	2	117.9030	0.001	2	117.9030	0.001	2	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)(H)2{3|C<4>,6|H<1>}	108.5950	0.000	1	108.5950	0.000	1	110.7380	9.185	2	110.7380	9.185	2	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)2(H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[3x6]C[5,6]H)(H)2{4|C<4>,5|H<1>}	112.8810	0.000	1	112.8810	0.000	1	110.7380	9.185	2	110.7380	9.185	2	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:2:	4:4:4:3:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:4:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	113.9225	0.230	2	113.9225	0.053	2	113.9225	0.053	2	113.9225	0.053	2	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[3x6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	111.9601	11.899	22	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,4x6]	4:4:2:1:	4:4:4:1:	4:4:4:4:	C[5,4x6]-4:C[4x6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.2520	0.057	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,4x6]	4:4:3:1:	4:4:4:1:	4:4:4:4:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,4|H<1>,6|C<4>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.2520	0.057	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:2:1:	4:4:3:4:	4:4:2:1:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	110.7580	0.154	4	110.7580	0.024	4	110.7580	0.024	4	110.7580	0.024	4	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:2:1:	4:4:3:4:	4:4:4:2:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:2:1:	4:4:4:3:	4:4:4:2:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:3:3:4:	4:4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	111.7390	0.000	1	111.3360	0.325	2	110.7475	0.654	4	110.9578	0.514	6	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.9330	0.000	1	111.3360	0.325	2	110.7475	0.654	4	110.9578	0.514	6	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.1590	0.501	2	110.1590	0.251	2	110.7475	0.654	4	110.9578	0.514	6	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[4x6]	C[5,6,6]	4:4:3:1:	4:4:3:4:	4:4:3:1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	111.3785	0.282	2	111.3785	0.080	2	111.3785	0.080	2	110.9578	0.514	6	110.9109	0.281	13	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[5x6]	C[5,6,6]	4:4:3:1:	4:4:3:3:	4:4:3:1:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	111.6105	0.785	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[5x6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	C[5,6,6](C[5x6]C[3x6]C[4x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	111.6105	0.785	2	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	108.5750	0.000	1	108.5750	0.000	1	108.6160	0.003	2	108.6160	0.003	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.6160	0.003	2	108.6160	0.003	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H){4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[3x6]C[5,6]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.3284	0.023	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.4645	0.035	2	108.3492	0.028	4	108.3492	0.028	4	108.3284	0.023	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.3570	0.000	1	108.3492	0.028	4	108.3492	0.028	4	108.3284	0.023	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.1110	0.000	1	108.3492	0.028	4	108.3492	0.028	4	108.3284	0.023	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:2:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]O[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	112.1990	0.253	2	112.1990	0.064	2	112.1990	0.064	2	112.1990	0.064	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:2:	4:4:2:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:2:3:	4:4:1:1:	4:3:4:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.0115	0.093	2	109.0115	0.009	2	109.0115	0.009	2	109.0115	0.009	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:Br-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	107.8230	0.002	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.8230	0.002	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	111.8645	0.639	2	111.8645	0.408	2	111.8645	0.408	2	111.1833	1.596	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:N[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H)	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	111.1833	1.596	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	112.1987	0.228	3	112.1987	0.052	3	112.1987	0.052	3	111.8680	0.233	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	111.3720	0.100	2	111.3720	0.010	2	111.3720	0.010	2	111.8680	0.233	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:2:1:	4:4:2:4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[3,6,6]-4:C[5,6,6]-4:N[6,6]-2:C[5]-4:	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	107.9685	0.250	2	107.9685	0.062	2	107.9685	0.062	2	108.9158	1.241	4	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	108.9158	1.241	4	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	110.0530	0.000	1	110.0530	0.000	1	110.0530	0.000	1	108.9158	1.241	4	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:4:1:	3:4:4:1:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	112.6520	0.089	2	112.6520	0.008	2	112.6520	0.008	2	112.6520	0.008	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:2:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:3:	4:4:3:1:	4:3:4:3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	108.2090	0.000	1	108.4100	0.206	5	108.4100	0.206	5	108.4100	0.206	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:3:	4:4:3:1:	4:3:4:3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	108.4603	0.508	4	108.4100	0.206	5	108.4100	0.206	5	108.4100	0.206	5	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:3:	4:4:3:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	105.6420	0.000	1	105.6420	0.000	1	105.6420	0.000	1	105.6420	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3){1|C<4>,2|O<2>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.2800	0.470	2	106.2800	0.220	2	106.2800	0.220	2	106.2800	0.220	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	109.0360	0.000	1	109.0360	0.000	1	109.1532	0.011	4	109.1532	0.011	4	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	109.1923	0.089	3	109.1923	0.008	3	109.1532	0.011	4	109.1532	0.011	4	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	107.7490	0.000	1	107.7490	0.000	1	107.6313	0.023	3	107.6313	0.023	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	107.6850	0.000	1	107.6850	0.000	1	107.6313	0.023	3	107.6313	0.023	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	107.4600	0.000	1	107.4600	0.000	1	107.6313	0.023	3	107.6313	0.023	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	111.4660	0.000	1	111.0230	0.392	2	111.0230	0.392	2	111.0230	0.392	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	110.5800	0.000	1	111.0230	0.392	2	111.0230	0.392	2	111.0230	0.392	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	108.4103	0.346	3	108.4103	0.120	3	108.4103	0.120	3	108.4103	0.120	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	109.9060	0.000	1	109.7855	0.029	2	109.8478	0.130	4	110.2050	0.387	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	109.6650	0.000	1	109.7855	0.029	2	109.8478	0.130	4	110.2050	0.387	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.4940	0.000	1	109.4940	0.000	1	109.8478	0.130	4	110.2050	0.387	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	110.3260	0.000	1	110.3260	0.000	1	109.8478	0.130	4	110.2050	0.387	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	110.9195	0.111	2	110.9195	0.012	2	110.9195	0.012	2	110.2050	0.387	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	108.8754	0.893	7	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,9|H<1>}	107.8480	0.372	2	107.8480	0.138	2	107.8480	0.138	2	108.8754	0.893	7	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	108.8754	0.893	7	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	109.8210	0.000	1	109.8060	0.001	3	109.8060	0.001	3	108.8754	0.893	7	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(S[5]N[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	109.7985	0.050	2	109.8060	0.001	3	109.8060	0.001	3	108.8754	0.893	7	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|C<4>,2|O<2>,7|H<1>}	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	109.4679	0.790	9	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,7|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	108.3520	0.000	2	108.3520	0.000	2	108.3520	0.000	2	109.4679	0.790	9	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	109.4679	0.790	9	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	109.5932	0.258	4	109.5932	0.067	4	109.5932	0.067	4	109.4679	0.790	9	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	109.4679	0.790	9	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,6,6]-4:C[5,4x6]-4:C[6,6]-4:Cl-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[6,6]Cl)(C[5,4x6]C[5,3x6]C[4x6]H)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	107.8607	2.145	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|O<2>,2|F<1>,3|C<4>,5|H<1>}	109.0300	0.000	1	109.0300	0.000	1	108.6820	0.242	2	107.8607	2.145	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|F<1>,2|C<4>,2|O<2>,6|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.6820	0.242	2	107.8607	2.145	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[5x6]HH)(C[5]C[5]CC)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,7|C<4>}	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	109.8335	0.062	2	109.8335	0.004	2	109.9397	0.036	3	109.9397	0.036	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	110.1520	0.000	1	110.1520	0.000	1	109.9397	0.036	3	109.9397	0.036	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7745	0.004	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.7745	0.004	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:3:1:	4:4:2:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[5]N[5,5]CH)(H){2|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[4,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	109.8680	1.415	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(C[5]O[5]HH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	109.8680	1.415	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:3:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2H)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	108.0410	0.000	1	108.0565	0.000	2	108.0565	0.000	2	108.0565	0.000	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	108.0720	0.000	1	108.0565	0.000	2	108.0565	0.000	2	108.0565	0.000	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:3:	4:4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	109.4160	0.544	2	109.4160	0.296	2	109.4160	0.296	2	109.4160	0.296	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]CH){2|O<2>,4|C<4>,5|H<1>}	113.4940	0.000	1	113.4940	0.000	1	112.7770	1.028	2	112.7777	0.514	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[5]C[5]HH){2|O<2>,4|C<4>,5|H<1>}	112.0600	0.000	1	112.0600	0.000	1	112.7770	1.028	2	112.7777	0.514	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]CC)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[5]C[5]CH){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	112.7777	0.514	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	110.3980	0.000	1	110.3980	0.000	1	109.0711	0.663	11	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	108.6300	0.280	4	108.6300	0.078	4	109.0711	0.663	11	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	109.1903	1.103	4	109.1076	0.946	5	109.0711	0.663	11	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<4>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	108.7770	0.000	1	109.1076	0.946	5	109.0711	0.663	11	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	109.3260	0.000	1	109.3260	0.000	1	109.0711	0.663	11	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HO)(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	117.0370	0.000	1	117.0370	0.000	1	116.4340	0.727	2	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	115.8310	0.000	1	115.8310	0.000	1	116.4340	0.727	2	110.2222	7.628	14	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:3:4:	4:4:4:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[5,3x6](C[5,5,6]C[3,5]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,4|C<3>,4|C<4>,5|H<1>}	112.9620	0.358	2	112.9620	0.128	2	112.9620	0.128	2	112.9620	0.128	2	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	109.8760	0.000	1	109.8760	0.000	1	109.1253	0.265	6	109.1253	0.265	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	108.8030	0.135	4	108.8030	0.018	4	109.1253	0.265	6	109.1253	0.265	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	109.6640	0.000	1	109.6640	0.000	1	109.1253	0.265	6	109.1253	0.265	6	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(C[5]C[5]O[5]H)(C[5]C[5]O){1|N<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	3:4:2:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	107.2755	0.046	2	107.2755	0.002	2	107.3650	0.025	3	107.3650	0.025	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	3:4:2:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	107.5440	0.000	1	107.5440	0.000	1	107.3650	0.025	3	107.3650	0.025	3	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,3x6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,4x6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	109.6092	3.267	129	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:2:1:	4:4:2:2:	4:3:4:4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[4,4x6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	107.8010	0.000	1	107.8010	0.000	1	107.6280	0.078	4	107.6280	0.078	4	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	107.2530	0.000	1	107.4170	0.054	2	107.6280	0.078	4	107.6280	0.078	4	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	107.5810	0.000	1	107.4170	0.054	2	107.6280	0.078	4	107.6280	0.078	4	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	107.8770	0.000	1	107.8770	0.000	1	107.6280	0.078	4	107.6280	0.078	4	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	107.7895	0.108	2	107.7895	0.012	2	107.7895	0.012	2	106.8995	0.663	6	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	106.8995	0.663	6	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	105.9460	0.000	1	106.2077	0.099	3	106.2077	0.099	3	106.8995	0.663	6	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	106.3385	0.308	2	106.2077	0.099	3	106.2077	0.099	3	106.8995	0.663	6	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]HO)(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	108.8190	2.184	2	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	108.8190	2.184	2	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,4x6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	107.9203	2.397	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:2:2:	4:4:2:1:	4:4:4:4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:3:1:	4:4:1:1:	3:4:4:3:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2{2|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:3:1:	4:4:2:1:	4:4:4:4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H){1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	112.8680	0.940	3	112.8680	0.883	3	112.8680	0.883	3	112.8680	0.883	3	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:3:2:	4:4:1:1:	4:4:4:3:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2{1|O<1>,2|N<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	104.7060	0.000	1	104.7060	0.000	1	104.7060	0.000	1	104.7060	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:3:4:	4:4:1:1:	3:4:4:3:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	104.0970	0.851	2	104.0970	0.725	2	104.2713	0.454	3	104.2713	0.454	3	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	104.6200	0.000	1	104.6200	0.000	1	104.2713	0.454	3	104.2713	0.454	3	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>,3|O<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O){1|C<3>,2|C<4>,3|O<1>,8|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-2:	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH){1|C<3>,3|C<4>,3|O<1>,8|H<1>}	107.3985	0.134	2	107.3985	0.018	2	107.3985	0.018	2	107.3985	0.018	2	108.2851	11.067	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	110.8525	0.139	2	110.8525	0.019	2	110.8525	0.019	2	110.8525	0.019	2	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:2:2:	4:3:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]O)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H){5|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5,6]C[5,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(H){1|Br<1>,3|C<4>,8|H<1>}	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.8335	0.709	2	114.8335	0.503	2	114.8335	0.503	2	114.8335	0.503	2	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	114.5890	0.395	2	114.5890	0.156	2	114.5890	0.156	2	114.1307	0.708	3	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	114.1307	0.708	3	112.1410	11.264	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{2|O<2>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	111.4290	0.000	1	111.1950	0.110	2	111.1950	0.110	2	111.1950	0.110	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|O<2>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	110.9610	0.000	1	111.1950	0.110	2	111.1950	0.110	2	111.1950	0.110	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:3:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:3:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	117.7227	0.269	4	117.7227	0.072	4	117.7227	0.072	4	117.7227	0.072	4	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	114.8510	0.000	1	115.2750	0.360	2	115.2750	0.360	2	115.3024	0.360	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	115.6990	0.000	1	115.2750	0.360	2	115.2750	0.360	2	115.3024	0.360	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	115.1630	0.317	3	115.1630	0.100	3	115.0457	0.122	4	115.3024	0.360	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	114.6940	0.000	1	114.6940	0.000	1	115.0457	0.122	4	115.3024	0.360	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	115.3024	0.360	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	117.8950	0.393	2	117.6515	0.222	4	117.7166	0.207	10	117.7166	0.207	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	117.4080	0.523	2	117.6515	0.222	4	117.7166	0.207	10	117.7166	0.207	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	117.8208	0.581	4	117.7600	0.234	6	117.7166	0.207	10	117.7166	0.207	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	117.4010	0.000	1	117.7600	0.234	6	117.7166	0.207	10	117.7166	0.207	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:1:	4:4:4:4:	4:3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	117.8760	0.000	1	117.7600	0.234	6	117.7166	0.207	10	117.7166	0.207	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:2:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:3:4:3:	4:4:4:1:	4:3:4:1:	C[5,5,6]-4:C[6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[5,5]O[5]2H)(H){1|N<2>,1|O<1>,3|C<4>,4|H<1>}	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3){2|O<2>,3|C<4>,3|H<1>}	112.5870	0.000	1	112.5870	0.000	1	113.5355	1.799	2	113.5355	1.799	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	114.4840	0.000	1	114.4840	0.000	1	113.5355	1.799	2	113.5355	1.799	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	111.5860	0.000	1	111.5860	0.000	1	112.2469	0.262	7	112.2469	0.262	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	112.8145	0.641	2	112.3570	0.213	6	112.2469	0.262	7	112.2469	0.262	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	111.9980	0.000	1	112.3570	0.213	6	112.2469	0.262	7	112.2469	0.262	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{3|C<4>,4|C<3>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	112.1717	0.025	3	112.3570	0.213	6	112.2469	0.262	7	112.2469	0.262	7	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	114.5923	0.738	9	114.8035	0.931	10	114.8035	0.931	10	114.8035	0.931	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<2>,6|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	116.7040	0.000	1	114.8035	0.931	10	114.8035	0.931	10	114.8035	0.931	10	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	117.1740	0.000	1	117.0101	0.813	63	117.0101	0.813	63	117.0101	0.813	63	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	117.1862	0.417	9	117.0101	0.813	63	117.0101	0.813	63	117.0101	0.813	63	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	117.0786	0.630	52	117.0101	0.813	63	117.0101	0.813	63	117.0101	0.813	63	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	111.7010	0.000	1	117.0101	0.813	63	117.0101	0.813	63	117.0101	0.813	63	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:2:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	114.4760	0.000	1	114.7973	0.196	3	114.7973	0.196	3	114.7973	0.196	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:4:	4:3:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	114.9580	0.486	2	114.7973	0.196	3	114.7973	0.196	3	114.7973	0.196	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:4:4:	4:4:3:4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	116.6950	0.000	1	115.5766	0.283	53	115.5766	0.283	53	115.5766	0.283	53	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	115.5551	0.513	52	115.5766	0.283	53	115.5766	0.283	53	115.5766	0.283	53	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	3:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	117.3688	0.242	4	117.3688	0.058	4	117.3688	0.058	4	117.3688	0.058	4	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[6]O[5])(C[3x5,6]C[5,5]2C[6])(C[5]C[5]HO)(H){2|O<2>,4|C<4>,8|H<1>}	107.2643	0.418	3	107.2643	0.175	3	107.2643	0.175	3	107.2643	0.175	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	109.3640	0.000	1	109.0985	0.141	2	109.0985	0.141	2	109.0985	0.141	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5]C)(C[5]O[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	108.8330	0.000	1	109.0985	0.141	2	109.0985	0.141	2	109.0985	0.141	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:3:	4:4:4:1:	4:4:3:2:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[3,5,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2{1|C<3>,4|O<2>,7|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	105.9990	0.538	4	105.9990	0.289	4	105.9990	0.289	4	105.9990	0.289	4	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	105.2320	0.000	1	105.2320	0.000	1	106.2227	0.745	3	106.2227	0.745	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	106.6250	0.000	1	106.7180	0.017	2	106.2227	0.745	3	106.2227	0.745	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	106.8110	0.000	1	106.7180	0.017	2	106.2227	0.745	3	106.2227	0.745	3	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	109.1215	0.220	2	109.1215	0.048	2	109.1215	0.048	2	109.1215	0.048	2	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:2:4:	4:3:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	C[5,6,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]O[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	115.1178	8.771	195	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:1:	4:4:3:3:	4:3:4:4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:1:	4:4:3:4:	4:4:4:2:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:2:	4:4:4:3:	4:4:4:3:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:3:2:1:	4:4:3:3:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H)	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:1:	4:3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:4:	4:4:3:1:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:4:	4:4:3:2:	C[5,6,6]-4:C[5,5]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]O)(C[5,5]C[5,5]C[5])(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:3:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	116.4260	0.458	2	116.4260	0.210	2	115.7704	0.410	12	115.7704	0.410	12	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	114.5310	0.000	1	114.5310	0.000	1	115.7704	0.410	12	115.7704	0.410	12	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	115.7280	0.192	2	115.7624	0.237	9	115.7704	0.410	12	115.7704	0.410	12	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	115.7723	0.557	7	115.7624	0.237	9	115.7704	0.410	12	115.7704	0.410	12	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:3:4:3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	111.1020	0.544	3	111.1020	0.296	3	111.1020	0.296	3	111.1020	0.296	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	109.4820	0.000	1	109.1750	0.188	2	109.1750	0.188	2	109.1750	0.188	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	108.8680	0.000	1	109.1750	0.188	2	109.1750	0.188	2	109.1750	0.188	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.4200	0.073	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.4200	0.073	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:4:	4:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.5475	0.251	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:4:	4:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.5475	0.251	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:2:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	106.2410	0.000	1	106.2410	0.000	1	106.9325	0.956	2	106.9325	0.956	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:3:2:	C[5,6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	107.6240	0.000	1	107.6240	0.000	1	106.9325	0.956	2	106.9325	0.956	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:2:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	115.7820	0.000	1	115.7820	0.000	1	116.2050	0.804	3	116.2050	0.804	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:2:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	115.5980	0.000	1	115.5980	0.000	1	116.2050	0.804	3	116.2050	0.804	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:2:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	117.2350	0.000	1	117.2350	0.000	1	116.2050	0.804	3	116.2050	0.804	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	116.1365	0.441	2	116.1365	0.194	2	116.1365	0.194	2	116.1365	0.194	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3)	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3){2|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:3:1:	4:2:4:3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	107.6189	0.256	8	107.6189	0.065	8	107.6189	0.065	8	107.6189	0.065	8	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:2:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:2:4:3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:4:2:3:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:3:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.8597	0.568	3	115.8597	0.323	3	115.8597	0.323	3	115.8597	0.323	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:3:2:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	115.4860	0.000	1	112.7030	15.490	2	112.7030	15.490	2	112.7030	15.490	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.9200	0.000	1	112.7030	15.490	2	112.7030	15.490	2	112.7030	15.490	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	113.7950	0.911	2	113.7950	0.829	2	113.7950	0.829	2	113.7950	0.829	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	113.6261	0.628	14	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	112.8083	1.114	3	112.8083	1.241	3	112.8083	1.241	3	113.6261	0.628	14	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	113.9759	0.389	10	113.9759	0.151	10	113.9759	0.151	10	113.6261	0.628	14	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	115.4013	0.300	4	115.4013	0.090	4	115.4013	0.090	4	115.4013	0.090	4	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:3:4:1:	4:3:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,7|H<1>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:3:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	114.5110	0.017	2	114.5110	0.000	2	114.5110	0.000	2	114.5110	0.000	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,5|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	116.7130	0.000	1	116.7130	0.000	1	114.6785	8.278	2	114.6785	8.278	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	112.6440	0.000	1	112.6440	0.000	1	114.6785	8.278	2	114.6785	8.278	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:3:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.9485	0.376	4	108.9485	0.141	4	108.9485	0.141	4	108.9485	0.141	4	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	108.3600	1.164	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	108.3600	1.164	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:3:	4:4:4:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:4:2:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	110.5580	0.000	1	110.5580	0.000	1	110.7076	0.084	5	110.7076	0.084	5	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:4:2:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	110.7220	0.158	2	110.7450	0.102	4	110.7076	0.084	5	110.7076	0.084	5	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:4:2:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	110.7680	0.529	2	110.7450	0.102	4	110.7076	0.084	5	110.7076	0.084	5	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	108.8790	0.000	1	108.8790	0.000	1	108.5480	0.181	3	108.5480	0.181	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	108.3825	0.445	2	108.3825	0.198	2	108.5480	0.181	3	108.5480	0.181	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	107.6170	0.124	2	107.6170	0.015	2	107.6170	0.015	2	107.6170	0.015	2	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	110.6510	0.714	3	110.6510	0.510	3	110.6510	0.510	3	110.6510	0.510	3	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[5,6,6]-4:C[5,5]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]N[5,6]H)(C[5,5]C[5,5]C[5]O)(C[6,6]C[6]2C)(C[5]C[5]HH){1|C<3>,7|H<1>,8|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	111.8655	11.869	114	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:2:4:1:	4:4:2:1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	118.5980	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:3:3:2:	4:3:2:4:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	115.1050	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:3:1:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	112.1712	0.747	5	112.1712	0.558	5	112.1712	0.558	5	112.1712	0.558	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	115.1790	0.274	2	115.1790	0.075	2	115.1790	0.075	2	115.1790	0.075	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:4:4:	4:4:2:1:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	113.2695	0.339	2	113.2695	0.115	2	113.2695	0.115	2	113.2695	0.115	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:3:	4:3:4:1:	4:4:4:1:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:3:4:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	111.2020	0.000	1	110.4485	1.136	2	110.4485	1.136	2	110.4485	1.136	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:3:4:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	109.6950	0.000	1	110.4485	1.136	2	110.4485	1.136	2	110.4485	1.136	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:2:4:2:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:2:3:1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<1>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:3:2:2:	4:3:3:4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:3:4:	4:3:2:1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	116.0110	0.000	1	116.0110	0.000	1	116.0110	0.000	1	116.0110	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:3:2:2:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:2:	4:4:4:3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	116.2320	0.724	2	116.2320	0.524	2	116.2320	0.524	2	116.2320	0.524	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:3:	4:4:3:1:	4:3:4:2:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]C[5])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	117.0510	0.116	2	117.0510	0.013	2	117.0510	0.013	2	117.0510	0.013	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:3:3:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	111.5790	0.000	1	111.5790	0.000	1	111.6555	0.012	2	112.5633	2.478	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[6,6]O[5,6]H)(H)2{4|H<1>,6|C<4>}	111.7320	0.000	1	111.7320	0.000	1	111.6555	0.012	2	112.5633	2.478	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	112.5633	2.478	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:2:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]O)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.7375	0.026	2	113.7375	0.001	2	113.7375	0.001	2	113.7375	0.001	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:2:	4:4:3:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:2:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:3:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[6,6]O[5,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.7595	0.254	2	108.7595	0.064	2	108.7595	0.064	2	108.7595	0.064	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-1:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.3812	0.342	4	113.4066	0.091	5	113.4066	0.091	5	113.4066	0.091	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]O[5,6]2C)(CCO)(H){1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.5080	0.000	1	113.4066	0.091	5	113.4066	0.091	5	113.4066	0.091	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	117.5025	0.224	2	117.5025	0.050	2	117.5025	0.050	2	117.5025	0.050	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.8234	0.212	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	117.0200	0.159	4	117.0200	0.025	4	117.0200	0.025	4	116.8234	0.212	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	116.9390	0.000	1	116.9390	0.000	1	116.9390	0.000	1	117.1565	0.095	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.1565	0.095	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	115.2640	0.000	1	115.2640	0.000	1	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	114.9870	0.000	1	114.3386	0.650	5	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,1|S<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|S<1>,4|C<4>,5|H<1>}	115.4220	0.000	1	114.3386	0.650	5	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	113.7080	0.000	1	114.3386	0.650	5	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	113.7880	0.014	2	114.3386	0.650	5	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	113.8400	0.000	1	113.8400	0.000	1	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3){2|C<4>,2|O<1>,3|C<3>,5|H<1>}	114.7030	0.000	1	114.7030	0.000	1	114.4375	0.537	8	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	114.0270	0.000	1	114.1477	0.013	3	114.1477	0.013	3	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	114.2080	0.064	2	114.1477	0.013	3	114.1477	0.013	3	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	114.3319	0.369	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	C[5,6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.9825	0.272	2	118.9825	0.074	2	118.9825	0.074	2	118.9825	0.074	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:2:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:2:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,4|H<1>}	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	112.2700	0.000	1	112.2700	0.000	1	111.9755	0.173	2	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	111.6810	0.000	1	111.6810	0.000	1	111.9755	0.173	2	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	110.8480	0.000	1	110.7000	0.044	2	111.0388	0.149	6	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	110.5520	0.000	1	110.7000	0.044	2	111.0388	0.149	6	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	111.3415	0.062	2	111.3415	0.004	2	111.0388	0.149	6	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	111.4510	0.000	1	111.0750	0.283	2	111.0388	0.149	6	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|O<1>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	110.6990	0.000	1	111.0750	0.283	2	111.0388	0.149	6	111.4857	0.686	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|O<1>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	110.6434	3.168	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	109.8570	0.000	1	109.7749	0.263	7	109.7749	0.263	7	110.6434	3.168	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	109.6402	0.673	4	109.7749	0.263	7	109.7749	0.263	7	110.6434	3.168	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	110.0030	0.181	2	109.7749	0.263	7	109.7749	0.263	7	110.6434	3.168	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	113.6410	0.000	1	113.6410	0.000	1	113.6410	0.000	1	110.6434	3.168	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:2:4:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.9195	0.472	2	114.9195	0.222	2	114.9195	0.222	2	114.9195	0.222	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	110.8600	0.877	2	110.8600	0.769	2	110.8600	0.769	2	110.8600	0.769	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.1830	0.000	1	110.1830	0.000	1	112.5980	11.664	2	112.5980	11.664	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	115.0130	0.000	1	115.0130	0.000	1	112.5980	11.664	2	112.5980	11.664	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:4:2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	111.1950	1.171	3	111.1950	1.371	3	111.4535	1.181	4	114.8664	14.106	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	112.2290	0.000	1	112.2290	0.000	1	111.4535	1.181	4	114.8664	14.106	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	117.4540	0.000	1	118.2792	0.672	4	118.2792	0.672	4	114.8664	14.106	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.5543	0.745	3	118.2792	0.672	4	118.2792	0.672	4	114.8664	14.106	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:3:2:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	113.3433	1.340	3	113.3433	1.797	3	113.3433	1.797	3	113.4163	1.219	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	113.4163	1.219	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H){1|Si<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	112.6053	0.816	3	112.6053	0.666	3	112.6053	0.666	3	113.3598	2.721	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	113.3598	2.721	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	108.9070	0.031	2	108.9070	0.001	2	108.9070	0.001	2	108.9070	0.001	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:3:3:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.4590	0.085	2	114.4590	0.007	2	114.4590	0.007	2	114.4590	0.007	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	109.0660	0.236	2	109.0660	0.056	2	108.6450	0.277	4	108.6450	0.277	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,3|C<3>,5|H<1>}	108.2240	0.257	2	108.2240	0.066	2	108.6450	0.277	4	108.6450	0.277	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	112.4783	0.815	4	112.9101	0.585	8	112.7783	0.668	9	112.7783	0.668	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	113.3420	0.451	4	112.9101	0.585	8	112.7783	0.668	9	112.7783	0.668	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	111.7240	0.000	1	111.7240	0.000	1	112.7783	0.668	9	112.7783	0.668	9	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:3:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	113.2587	0.309	4	113.2494	0.145	8	113.2494	0.145	8	113.2494	0.145	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.2400	0.493	4	113.2494	0.145	8	113.2494	0.145	8	113.2494	0.145	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	106.5240	0.000	2	106.5240	0.000	2	106.5240	0.000	2	106.5240	0.000	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2{2|C<4>,8|H<1>}	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2{2|C<4>,8|H<1>}	109.7035	0.295	2	109.7035	0.087	2	109.7035	0.087	2	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,1|S<4>,2|C<4>,6|H<1>}	110.0585	0.331	4	110.0585	0.109	4	110.0585	0.109	4	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	109.8035	0.108	2	109.8035	0.012	2	109.9822	0.329	8	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	109.6140	0.134	2	109.6140	0.018	2	109.9822	0.329	8	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)2(C[6,6]C[5,6,6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,2|C<4>,6|H<1>}	110.2558	0.739	4	110.2558	0.545	4	109.9822	0.329	8	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	107.8490	0.000	1	108.1355	0.164	2	108.1355	0.164	2	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	108.4220	0.000	1	108.1355	0.164	2	108.1355	0.164	2	109.5447	0.810	19	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[5,6,6](C[5,6]C[5]C[6]C)2(C[6,6]C[6,6]HH)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	112.3655	0.667	12	112.3655	0.445	12	112.3655	0.445	12	112.3655	0.445	12	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	110.8440	0.183	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH)	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH){3|C<4>,5|H<1>}	111.0910	0.000	2	111.0910	0.000	2	111.0910	0.000	2	110.8440	0.183	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H){5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	112.6790	1.192	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	112.6790	1.192	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:2:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	116.5245	0.175	2	116.5245	0.031	2	116.5245	0.031	2	116.5245	0.031	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:2:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	120.0060	0.260	2	120.0060	0.068	2	120.0060	0.068	2	120.0060	0.068	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.3490	0.000	1	109.3490	0.000	1	112.4815	19.625	2	112.4815	19.625	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	115.6140	0.000	1	115.6140	0.000	1	112.4815	19.625	2	112.4815	19.625	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:3:	4:3:2:2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:3:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	109.4153	0.534	3	109.4153	0.286	3	109.4153	0.286	3	109.4153	0.286	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:2:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2	C[5,6,6](C[5,6,6]C[3x5,6]C[6]2)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6]C[5,6]O[5,6]H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	106.2400	0.005	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	106.2400	0.005	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.1390	0.000	1	116.7655	13.797	2	116.7655	13.797	2	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	119.3920	0.000	1	116.7655	13.797	2	116.7655	13.797	2	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	113.9130	0.000	1	113.9130	0.000	1	114.6180	1.250	3	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	115.9070	0.000	1	114.9705	1.754	2	114.6180	1.250	3	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	114.0340	0.000	1	114.9705	1.754	2	114.6180	1.250	3	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	115.3735	4.430	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	117.3084	2.391	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	117.1090	0.000	1	117.3325	0.100	2	117.3325	0.100	2	117.3084	2.391	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	117.5560	0.000	1	117.3325	0.100	2	117.3325	0.100	2	117.3084	2.391	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	118.5475	0.095	2	118.5475	0.009	2	118.5475	0.009	2	117.3084	2.391	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	118.0690	0.136	2	118.0690	0.018	2	118.0690	0.018	2	118.0690	0.018	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	112.8102	0.239	4	112.8102	0.057	4	112.8102	0.057	4	113.9656	4.313	10	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.2900	0.000	1	113.1940	0.396	4	114.7358	5.949	6	113.9656	4.313	10	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	113.5570	0.276	2	113.1940	0.396	4	114.7358	5.949	6	113.9656	4.313	10	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.3720	0.000	1	113.1940	0.396	4	114.7358	5.949	6	113.9656	4.313	10	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	117.8195	0.169	2	117.8195	0.029	2	114.7358	5.949	6	113.9656	4.313	10	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H)	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2	C[5,6,6](C[5,6]C[3x5,6]CC)(C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2H)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2{5|C<4>,5|H<1>}	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	113.9165	2.565	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	116.2900	0.000	1	114.6400	5.445	2	114.6400	5.445	2	113.9165	2.565	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	112.9900	0.000	1	114.6400	5.445	2	114.6400	5.445	2	113.9165	2.565	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	113.9165	2.565	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	110.0195	0.039	4	110.0195	0.001	4	110.0195	0.001	4	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.2010	0.000	1	112.2010	0.000	1	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	110.8717	1.598	3	110.8717	2.554	3	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	111.1325	1.027	2	111.1325	1.056	2	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	114.0100	0.000	1	113.4670	0.590	2	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	112.9240	0.000	1	113.4670	0.590	2	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.2245	0.100	2	112.2245	0.010	2	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.4150	0.000	1	112.4150	0.000	1	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	111.8260	0.000	1	111.8260	0.000	1	111.8921	1.509	12	111.4239	1.808	16	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	113.4840	0.039	4	113.4840	0.002	4	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	112.1600	0.000	1	112.1600	0.000	1	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|H<1>,5|O<2>,6|C<4>}	113.2640	0.000	1	112.4707	1.733	7	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	110.3360	0.000	1	112.4707	1.733	7	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	112.7390	1.101	5	112.4707	1.733	7	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	111.5960	0.098	2	111.5960	0.010	2	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(H){1|N<4>,4|H<1>,4|O<2>,6|C<4>}	112.8860	0.000	1	112.8860	0.000	1	112.6313	1.138	15	112.6313	1.138	15	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	111.9978	0.945	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	112.1710	0.110	2	112.1710	0.012	2	112.1417	0.009	3	111.9978	0.945	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	112.0830	0.000	1	112.0830	0.000	1	112.1417	0.009	3	111.9978	0.945	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	111.9978	0.945	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:3:4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	116.4763	0.733	3	116.4763	0.538	3	116.4763	0.538	3	115.9851	3.340	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	113.3380	0.000	1	113.3380	0.000	1	115.7057	4.300	3	115.9851	3.340	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	116.8895	0.436	2	116.8895	0.190	2	115.7057	4.300	3	115.9851	3.340	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	115.9851	3.340	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	115.9851	3.340	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	118.4815	0.246	4	118.4815	0.060	4	118.4815	0.060	4	118.4815	0.060	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.1565	0.390	2	114.1565	0.152	2	114.1565	0.152	2	116.2910	13.667	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	115.0620	0.000	1	118.4255	22.626	2	118.4255	22.626	2	116.2910	13.667	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	121.7890	0.000	1	118.4255	22.626	2	118.4255	22.626	2	116.2910	13.667	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.0140	0.000	1	118.0140	0.000	1	118.0140	0.000	1	118.0140	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	121.5757	0.683	3	121.5757	0.466	3	121.6168	0.240	5	121.6168	0.240	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	121.6785	0.122	2	121.6785	0.015	2	121.6168	0.240	5	121.6168	0.240	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	111.4070	0.441	2	110.8957	0.882	3	110.8957	0.882	3	110.8957	0.882	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	109.8730	0.000	1	110.8957	0.882	3	110.8957	0.882	3	110.8957	0.882	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-2:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN)	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[3,5,5,6]HH)2(C[6,6]C[5,6,6]HH)(CN){1|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2{2|C<4>,8|H<1>}	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2{2|C<4>,8|H<1>}	109.2980	0.535	2	109.2980	0.286	2	109.2980	0.286	2	109.2980	0.286	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	113.4715	0.023	2	113.4715	0.001	2	113.4715	0.001	2	113.4715	0.001	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:4:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:2:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	110.5570	0.416	2	110.5570	0.173	2	110.5570	0.173	2	109.6826	0.684	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.6826	0.684	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	109.1930	0.000	1	109.1930	0.000	1	109.1390	0.006	2	109.6826	0.684	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])(H)2{1|O<1>,3|H<1>,5|C<4>}	109.0850	0.000	1	109.0850	0.000	1	109.1390	0.006	2	109.6826	0.684	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	117.0655	0.100	2	117.0655	0.010	2	117.0655	0.010	2	114.1840	7.901	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	114.1840	7.901	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	114.1840	7.901	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	114.1840	7.901	5	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	115.0715	0.138	2	115.0715	0.019	2	115.0715	0.019	2	115.0715	0.019	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.0090	0.021	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	109.0090	0.021	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5,6]HH)(H){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	110.7750	0.000	1	110.7750	0.000	1	110.2193	0.749	4	110.2193	0.749	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	110.0340	0.958	3	110.0340	0.917	3	110.2193	0.749	4	110.2193	0.749	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	107.4990	0.160	2	107.4990	0.026	2	108.5987	0.840	10	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	108.7170	0.407	2	108.7170	0.166	2	108.5987	0.840	10	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	109.5895	0.245	2	109.5895	0.060	2	108.5987	0.840	10	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	107.5020	0.000	1	107.5020	0.000	1	108.5987	0.840	10	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	108.9580	0.808	3	108.9580	0.653	3	108.5987	0.840	10	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	108.9402	2.039	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:3:3:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:3:4:2:	4:3:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	C[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2{1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	110.4475	0.446	2	110.4475	0.199	2	110.4475	0.199	2	110.4475	0.199	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	112.1430	0.000	2	112.1430	0.000	2	112.1430	0.000	2	112.1430	0.000	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:2:2:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|O<2>,5|H<1>}	114.1410	0.000	2	114.1410	0.000	2	114.1410	0.000	2	114.1410	0.000	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:2:4:2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.4857	0.395	4	109.4857	0.156	4	109.4857	0.156	4	109.4857	0.156	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	110.1893	0.687	4	110.1893	0.472	4	110.1893	0.472	4	110.9087	1.839	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	110.9087	1.839	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	110.9087	1.839	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	109.0470	0.000	1	109.3215	0.151	2	109.3215	0.151	2	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	109.5960	0.000	1	109.3215	0.151	2	109.3215	0.151	2	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	111.2190	0.215	2	111.2190	0.046	2	111.2190	0.046	2	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	110.1040	0.218	2	110.1040	0.047	2	110.5985	0.355	4	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	110.9510	0.000	1	110.9510	0.000	1	110.5985	0.355	4	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	111.2350	0.000	1	111.2350	0.000	1	110.5985	0.355	4	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	112.6460	0.379	2	112.6460	0.144	2	112.6460	0.144	2	111.0733	1.730	11	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.1720	0.000	1	111.7665	0.329	2	111.7123	0.173	3	111.7123	0.173	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.3610	0.000	1	111.7665	0.329	2	111.7123	0.173	3	111.7123	0.173	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.7123	0.173	3	111.7123	0.173	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	109.3420	0.000	1	109.3420	0.000	1	110.1530	1.315	2	110.1530	1.315	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	110.9640	0.000	1	110.9640	0.000	1	110.1530	1.315	2	110.1530	1.315	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2	C[5,6,6](C[5,6]C[5,6]CC)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	106.4925	0.016	2	106.4925	0.000	2	106.4925	0.000	2	106.4925	0.000	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:3:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:2:2:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:3:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,8|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	110.3780	3.082	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	111.3885	0.193	2	111.3885	0.037	2	111.3885	0.037	2	110.3780	3.082	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	109.0695	0.466	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.0695	0.466	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	105.8795	0.301	2	105.8795	0.090	2	105.8795	0.090	2	106.6473	1.814	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	106.6473	1.814	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	115.3103	0.548	6	115.3103	0.300	6	115.3103	0.300	6	115.3103	0.300	6	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	113.1158	0.797	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	113.1158	0.797	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.1470	0.519	2	113.1470	0.269	2	113.1470	0.269	2	113.1158	0.797	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	114.2985	0.581	2	114.2985	0.337	2	113.5715	0.834	4	113.1158	0.797	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	112.8445	0.228	2	112.8445	0.052	2	113.5715	0.834	4	113.1158	0.797	8	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	109.1735	20.769	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	109.1735	20.769	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	110.1397	2.173	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	109.4285	1.145	2	109.4285	1.311	2	109.4285	1.311	2	110.1397	2.173	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:2:	4:4:3:2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.7815	0.606	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:2:	4:4:3:2:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	110.7815	0.606	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:2:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	106.9035	0.647	2	106.9035	0.419	2	106.9035	0.419	2	106.9035	0.419	2	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:2:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2	C[5,6,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	105.7650	0.000	1	105.7650	0.000	1	105.7650	0.000	1	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]BrH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|Br<1>,1|O<1>,3|C<4>,6|H<1>}	107.3280	0.000	1	107.3280	0.000	1	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,4|C<4>,6|H<1>}	106.4980	0.048	2	106.4980	0.002	2	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.1500	0.000	1	110.1500	0.000	1	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	108.1909	0.185	8	108.0582	0.292	13	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	108.0500	0.829	4	108.0582	0.292	13	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	107.0290	0.000	1	108.0582	0.292	13	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	112.1580	0.000	1	112.1146	0.252	8	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	111.8833	0.740	3	112.1146	0.252	8	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	111.9700	0.000	1	112.1146	0.252	8	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	112.1870	0.231	2	112.1146	0.252	8	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	112.7650	0.000	1	112.1146	0.252	8	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	112.3117	0.477	3	112.3117	0.227	3	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.0750	0.000	1	112.0640	0.000	2	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	112.0530	0.000	1	112.0640	0.000	2	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.1610	0.000	1	112.1610	0.000	1	109.8507	5.025	31	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2H)(C[5]O[5]HH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	109.5612	5.490	34	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	109.2198	4.888	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	109.2198	4.888	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.2198	4.888	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	109.2198	4.888	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	110.3120	9.549	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	110.9730	0.000	1	110.9730	0.000	1	110.9730	0.000	1	110.3120	9.549	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	110.3120	9.549	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	110.3120	9.549	4	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:2:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	109.2110	0.612	2	109.2110	0.375	2	109.2110	0.375	2	107.3940	10.092	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	103.7600	0.000	1	103.7600	0.000	1	103.7600	0.000	1	107.3940	10.092	3	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	112.3065	10.455	480	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3x5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[4x5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O)	C[5,6,6](C[3x5,3x6]C[4x5,6,6]C[5,6,6]C[5])(C[5,6]C[3x5,6]HO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3x5,3x6](C[4x5,6,6]C[3x5,6]C[5,6]2)(C[5,6,6]C[5,5,6,6]HH)(C[5,6,6]C[5,6]C[6]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:4:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C[5]-4:	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH)	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH){2|H<1>,3|O<1>,4|C<4>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3,5,6]N[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	104.7280	0.178	2	104.7280	0.032	2	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	104.3040	0.000	1	104.3040	0.000	1	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	105.1510	0.000	1	104.3830	0.470	3	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	103.9990	0.236	2	104.3830	0.470	3	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	104.0190	0.000	1	104.0190	0.000	1	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	104.1510	0.372	2	104.1510	0.138	2	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[3x5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	105.0115	0.735	2	105.0115	0.540	2	104.4775	0.283	11	104.4775	0.283	11	105.7856	8.248	14	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:3:3:4:	4:4:1:1:	4:4:3:2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:2:3:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[6,6]C[6a]C[6]O[6])(C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,3x6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	113.6200	0.000	1	113.1515	0.439	2	113.1515	0.439	2	113.1515	0.439	2	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	112.6830	0.000	1	113.1515	0.439	2	113.1515	0.439	2	113.1515	0.439	2	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:2:	4:4:4:2:	4:4:4:4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	112.1487	0.092	3	112.1487	0.008	3	112.1487	0.008	3	112.1487	0.008	3	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:2:1:	4:4:2:4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	111.6336	3.385	11	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:3:	4:2:1:1:	4:4:4:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	107.3715	0.284	2	107.3715	0.080	2	107.3400	0.043	3	107.3400	0.043	3	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:3:	4:2:1:1:	4:4:4:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,8|H<1>}	107.2770	0.000	1	107.2770	0.000	1	107.3400	0.043	3	107.3400	0.043	3	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:3:	4:2:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)2{1|C<3>,1|O<2>,2|C<4>,3|O<1>,7|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:2:1:1:	4:4:3:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	105.8450	0.000	1	105.8450	0.000	1	105.8450	0.000	1	105.8450	0.000	1	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:2:1:1:	4:4:4:3:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-3:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[5,4x6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[3,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH)	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,4x6](C[5,6,6]C[3,6]C[5,6]C[6])(C[5,3x6]C[6,6]C[6]O[5])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]HH){1|O<1>,2|O<2>,4|C<4>,8|H<1>}	107.7207	0.692	3	107.7207	0.479	3	107.7207	0.479	3	107.7207	0.479	3	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,4x6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.1273	0.699	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,3x6]	4:3:4:3:	4:4:4:4:	4:4:2:2:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	113.1276	0.806	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,3x6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	113.4360	0.017	2	113.4360	0.000	2	113.4360	0.000	2	113.4360	0.000	2	113.1276	0.806	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,5,6,6]N[5,5,6,6]C[6,6]O)(C[5,6,6]C[5,6]C[6]C)(H){10|H<1>,4|C<4>}	112.2260	0.000	2	112.2260	0.000	2	112.2260	0.000	2	112.2260	0.000	2	113.1276	0.806	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]Br)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]BrH)(H){1|N<3>,1|O<1>,5|H<1>}	115.1450	0.000	1	115.1450	0.000	1	115.1450	0.000	1	115.1450	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:1:	4:3:2:1:	4:4:3:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.1605	0.450	2	111.1605	0.203	2	111.1605	0.203	2	111.1605	0.203	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O)	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[6,6]2)(C[5,6,6]O[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH){1|O<2>,3|C<4>,8|H<1>}	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:1:	4:4:2:1:	4:4:3:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]O[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,3|H<1>}	112.7720	0.682	2	112.7720	0.465	2	112.7720	0.465	2	112.7720	0.465	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:2:	4:3:1:1:	4:4:4:1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]O)(C[5,5]C[5,5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5,6,6]O[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	113.8095	0.650	4	113.8095	0.423	4	113.8095	0.423	4	113.8095	0.423	4	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:3:1:1:	4:2:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:3:2:1:	4:4:4:2:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	116.1805	0.077	2	116.1805	0.006	2	116.1805	0.006	2	116.1805	0.006	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:3:4:1:	4:4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.9740	0.306	8	115.9740	0.094	8	115.9740	0.094	8	115.9740	0.094	8	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:3:4:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6]O)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	117.4310	0.000	1	117.4310	0.000	1	117.4310	0.000	1	117.4310	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:3:	4:4:2:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	112.4630	1.655	2	112.4630	2.738	2	112.4630	2.738	2	112.4630	2.738	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:4:	4:3:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:N[5]-3:	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C)	C[5,6,6](C[5,5,6,6]C[5,6]2N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:4:	4:4:1:1:	4:2:2:4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:3:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:3:2:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:3:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH)	C[5,6,6](C[5,5,6,6]C[3,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH){1|C<4>,6|H<1>}	110.6190	0.255	2	110.6190	0.065	2	110.6190	0.065	2	111.0530	0.597	3	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.0530	0.597	3	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]O)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]ClH)(H){3|C<4>,7|H<1>}	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	111.8652	4.562	5	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]2H)(C[5,6]C[5,5,6]CC)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,5,6]C[5,6]O[5]2)(C[5,6,6]C[5,6]C[6]H)(H){2|C<2>,3|C<4>,7|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	111.8652	4.562	5	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	113.8340	0.443	2	113.8340	0.196	2	113.3493	0.803	3	111.8652	4.562	5	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	112.3800	0.000	1	112.3800	0.000	1	113.3493	0.803	3	111.8652	4.562	5	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	114.5895	14.381	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	114.5895	14.381	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH){1|O<2>,3|C<4>,8|H<1>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.4245	0.342	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	112.4245	0.342	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	117.7130	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[6])(C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]CC)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:3:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	111.1890	0.000	1	111.1890	0.000	1	110.2750	0.984	3	110.2750	0.984	3	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	109.8180	0.846	2	109.8180	0.715	2	110.2750	0.984	3	110.2750	0.984	3	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	110.4265	0.197	2	110.4265	0.039	2	110.4265	0.039	2	110.4265	0.039	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:3:2:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:C-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:2:2:3:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	106.4315	0.122	2	106.4315	0.015	2	106.4315	0.015	2	106.4315	0.015	2	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5,5]C[5,5,6]CC)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<2>,2|O<2>,4|H<1>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:4:4:1:	4:2:2:4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:S-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	112.6596	8.487	63	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	113.3730	0.990	16	113.3730	0.979	16	113.3730	0.979	16	113.3730	0.979	16	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	111.8160	2.553	2	111.8160	6.516	2	111.8160	6.516	2	112.0680	2.841	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	111.3840	0.000	1	112.3200	1.752	2	112.3200	1.752	2	112.0680	2.841	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	113.2560	0.000	1	112.3200	1.752	2	112.3200	1.752	2	112.0680	2.841	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[6]O[5]2)(H)2{3|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	110.9040	2.363	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	110.9040	2.363	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:2:4:2:	4:3:4:4:	4:4:4:1:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:2:4:4:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[5,6]C)(C[5]C[5]HH){4|C<4>,7|H<1>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	110.6640	0.137	2	110.6640	0.019	2	110.6640	0.019	2	110.6640	0.019	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:3:3:3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.6515	0.327	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	115.0560	0.000	1	115.0560	0.000	1	115.0560	0.000	1	114.6515	0.327	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:3:	4:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:3:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:3:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:3:1:1:	3:4:4:4:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:3:1:1:	4:4:3:2:	C[5,6,6]-4:N[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]O)(C[5]O[5]CH)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	113.4113	0.271	3	113.4113	0.073	3	113.4113	0.073	3	113.4113	0.073	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,9|H<1>}	112.7195	3.502	2	112.7195	12.266	2	112.7195	12.266	2	112.3023	6.655	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	112.3023	6.655	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	111.2480	0.000	1	111.2480	0.000	1	108.3625	16.652	2	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	105.4770	0.000	1	105.4770	0.000	1	108.3625	16.652	2	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	111.5153	0.469	3	110.1080	8.069	4	108.5931	9.495	8	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	105.8860	0.000	1	110.1080	8.069	4	108.5931	9.495	8	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	105.7177	0.919	3	107.0782	7.968	4	108.5931	9.495	8	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	111.1600	0.000	1	107.0782	7.968	4	108.5931	9.495	8	108.5470	9.245	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	111.6685	0.870	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	111.6685	0.870	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:2:3:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:2:3:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	115.0655	0.135	2	115.0655	0.018	2	115.0655	0.018	2	115.0655	0.018	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:1:1:	4:4:2:2:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:3:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	114.6990	0.000	1	114.6990	0.000	1	114.6990	0.000	1	114.6990	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	112.3160	4.271	2	112.3160	18.241	2	113.4400	7.832	4	113.4400	7.832	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.5640	0.450	2	114.5640	0.202	2	113.4400	7.832	4	113.4400	7.832	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:3:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	113.8890	0.000	1	113.8890	0.000	1	113.8800	0.000	2	113.8800	0.000	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	113.8710	0.000	1	113.8710	0.000	1	113.8800	0.000	2	113.8800	0.000	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:C-4:	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3)	C[5,6,6](C[5,6,6]C[6,6]N[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3){2|C<3>,9|H<1>}	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.0182	0.683	4	113.0182	0.466	4	113.0182	0.466	4	113.0182	0.466	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	113.7410	0.000	1	113.7410	0.000	1	114.7900	0.740	10	114.7900	0.740	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	114.3220	0.000	1	114.3220	0.000	1	114.7900	0.740	10	114.7900	0.740	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	115.0472	0.971	4	115.0472	0.942	4	114.7900	0.740	10	114.7900	0.740	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	114.2655	0.711	2	114.2655	0.505	2	114.7900	0.740	10	114.7900	0.740	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	115.5585	0.112	2	115.5585	0.013	2	114.7900	0.740	10	114.7900	0.740	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	110.0424	0.525	16	110.0424	0.276	16	110.0424	0.276	16	110.0424	0.276	16	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	113.2540	0.366	2	113.2540	0.134	2	113.2540	0.134	2	113.2540	0.134	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.8520	0.429	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	113.8520	0.429	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	114.0110	0.474	2	114.0110	0.224	2	114.0110	0.224	2	114.0110	0.224	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.7263	0.043	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	114.7720	0.270	2	114.7720	0.073	2	114.7720	0.073	2	114.7263	0.043	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2{2|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	113.3176	0.391	8	113.3176	0.153	8	113.3176	0.153	8	112.6585	1.502	18	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	112.0950	1.293	4	112.0950	1.673	4	112.2040	0.793	8	112.6585	1.502	18	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,2|C<4>,3|O<2>,4|H<1>}	112.3130	0.381	4	112.3130	0.145	4	112.2040	0.793	8	112.6585	1.502	18	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	112.6585	1.502	18	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	114.3340	0.000	1	114.3340	0.000	1	114.3340	0.000	1	112.6585	1.502	18	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	112.2980	0.174	2	112.7538	0.765	5	112.7538	0.765	5	112.7538	0.765	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	114.0680	0.000	1	112.7538	0.765	5	112.7538	0.765	5	112.7538	0.765	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	113.1870	0.000	1	112.7538	0.765	5	112.7538	0.765	5	112.7538	0.765	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	111.9180	0.000	1	112.7538	0.765	5	112.7538	0.765	5	112.7538	0.765	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	115.7800	0.000	1	115.7800	0.000	1	113.9365	6.797	2	113.1228	2.390	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.0930	0.000	1	112.0930	0.000	1	113.9365	6.797	2	113.1228	2.390	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	112.3060	0.324	2	112.3060	0.105	2	112.5803	0.278	3	113.1228	2.390	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.1290	0.000	1	113.1290	0.000	1	112.5803	0.278	3	113.1228	2.390	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]O[5,6]C[5]H)(H){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	116.0025	0.636	6	116.0025	0.404	6	116.0025	0.404	6	116.0025	0.404	6	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	114.4400	0.000	1	113.8185	0.773	2	113.8185	0.773	2	113.8185	0.773	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	113.1970	0.000	1	113.8185	0.773	2	113.8185	0.773	2	113.8185	0.773	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:3:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	115.7380	0.000	1	115.7380	0.000	1	115.7380	0.000	1	115.7380	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]C[6]O){2|C<3>,5|C<4>,5|H<1>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	113.0830	0.450	2	113.0830	0.202	2	113.0830	0.202	2	113.0830	0.202	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:3:2:2:	4:4:3:2:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6]-4:C[6]-3:O-2:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	112.7360	0.000	1	112.2235	0.525	2	112.2235	0.525	2	112.2235	0.525	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	111.7110	0.000	1	112.2235	0.525	2	112.2235	0.525	2	112.2235	0.525	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	112.3085	13.556	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	112.3085	13.556	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	113.3705	0.483	2	113.3705	0.233	2	113.3673	0.117	3	113.3673	0.117	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<4>,4|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[5,6]C[5,3x6]C[5]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|H<1>,6|C<4>}	113.3610	0.000	1	113.3610	0.000	1	113.3673	0.117	3	113.3673	0.117	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	113.1230	0.000	1	113.1230	0.000	1	113.8792	0.805	4	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	114.2540	0.000	1	114.2540	0.000	1	113.8792	0.805	4	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	114.9730	0.000	1	114.9730	0.000	1	113.8792	0.805	4	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	113.1670	0.000	1	113.1670	0.000	1	113.8792	0.805	4	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,2|C<4>,8|H<1>}	114.1410	1.177	2	114.1410	1.384	2	114.1410	1.384	2	112.4540	5.006	10	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:2:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.5430	0.306	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	109.5430	0.306	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:2:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]HO)(C[5]O[5]HH){2|O<2>,3|H<1>,4|C<4>}	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	116.6710	0.000	1	115.6846	0.415	5	115.6846	0.415	5	115.6846	0.415	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	115.1840	0.430	2	115.6846	0.415	5	115.6846	0.415	5	115.6846	0.415	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	115.6920	0.027	2	115.6846	0.415	5	115.6846	0.415	5	115.6846	0.415	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:3:1:1:	4:3:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:3:2:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,8|H<1>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	109.8870	0.283	2	109.8870	0.080	2	109.8870	0.080	2	109.8870	0.080	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	105.8590	1.080	4	105.8590	1.166	4	105.8590	1.166	4	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	110.6890	0.000	1	110.1255	0.635	2	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	109.5620	0.000	1	110.1255	0.635	2	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	110.5170	0.000	1	109.6568	0.651	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	109.9750	0.000	1	109.6568	0.651	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	109.7070	0.348	2	109.6568	0.651	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	108.3780	0.000	1	109.6568	0.651	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	111.9330	0.000	1	112.2800	0.241	2	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]CH)(H){1|O<1>,6|C<4>,7|H<1>}	112.6270	0.000	1	112.2800	0.241	2	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	111.7000	0.000	1	112.2448	4.956	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	111.1590	0.000	1	112.2448	4.956	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	111.0960	0.528	2	112.2448	4.956	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|O<1>,6|H<1>,7|C<4>}	116.1730	0.000	1	112.2448	4.956	5	111.0228	3.452	14	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	115.0130	0.327	2	115.0130	0.107	2	111.7715	14.045	4	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)2(C[5]O[5]O){3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	108.5300	0.001	2	108.5300	0.000	2	111.7715	14.045	4	110.0878	8.822	23	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	109.7880	0.427	2	109.7880	0.182	2	109.7880	0.182	2	109.7880	0.182	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:2:4:1:	4:3:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	3:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	109.5360	1.348	2	109.5360	1.816	2	109.5095	1.063	4	109.5095	1.063	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	108.6550	0.000	1	108.6550	0.000	1	109.5095	1.063	4	109.5095	1.063	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{2|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	110.3110	0.000	1	110.3110	0.000	1	109.5095	1.063	4	109.5095	1.063	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	111.9290	0.096	2	111.9290	0.009	2	111.9290	0.009	2	111.9290	0.009	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	111.7450	0.100	2	111.7450	0.010	2	111.7450	0.010	2	111.7450	0.010	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	3:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.2280	0.000	1	112.2280	0.000	1	109.3585	16.468	2	109.3585	16.468	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	3:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	106.4890	0.000	1	106.4890	0.000	1	109.3585	16.468	2	109.3585	16.468	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	106.4950	0.000	1	106.4950	0.000	1	108.6680	9.444	2	108.9560	3.296	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	110.8410	0.000	1	110.8410	0.000	1	108.6680	9.444	2	108.9560	3.296	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	109.2440	0.334	2	109.2440	0.111	2	109.2440	0.111	2	108.9560	3.296	4	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	107.2160	0.051	2	107.2160	0.003	2	107.2160	0.003	2	107.2160	0.003	2	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6,6]C[5,6]2H)(C[5]O[5]HO)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	104.6180	0.000	1	104.6180	0.000	1	104.6180	0.000	1	110.3293	9.658	22	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	113.5287	0.448	10	113.5287	0.201	10	110.6688	8.776	20	110.3293	9.658	22	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	107.8088	0.386	10	107.8088	0.149	10	110.6688	8.776	20	110.3293	9.658	22	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	110.3293	9.658	22	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	113.8575	0.295	2	113.8808	0.288	5	113.8808	0.288	5	113.8808	0.288	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	114.6950	0.000	1	113.8808	0.288	5	113.8808	0.288	5	113.8808	0.288	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	113.4970	0.325	2	113.8808	0.288	5	113.8808	0.288	5	113.8808	0.288	5	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	109.0540	0.468	2	109.0540	0.219	2	109.3343	0.345	3	109.3343	0.345	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.3343	0.345	3	109.3343	0.345	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:2:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	105.3090	0.000	2	105.3090	0.000	2	105.3090	0.000	2	108.2693	26.291	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	108.2693	26.291	3	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	111.7934	7.483	281	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.9493	1.558	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.0160	0.000	1	111.0160	0.000	1	112.1915	2.764	2	111.9493	1.558	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	113.3670	0.000	1	113.3670	0.000	1	112.1915	2.764	2	111.9493	1.558	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	113.7440	0.000	1	113.7440	0.000	1	113.7440	0.000	1	113.6223	0.517	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	113.6223	0.517	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.0765	0.251	2	114.0765	0.063	2	114.0765	0.063	2	113.6223	0.517	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:2:4:1:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:S[5]-3:C[6]-3:H-1:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.6000	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:3:	4:3:1:1:	4:4:4:2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	115.7410	0.000	1	115.7410	0.000	1	115.7255	0.000	2	116.3992	0.378	6	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	115.7100	0.000	1	115.7100	0.000	1	115.7255	0.000	2	116.3992	0.378	6	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	116.7360	0.420	4	116.7360	0.177	4	116.7360	0.177	4	116.3992	0.378	6	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:2:4:2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	112.1875	0.226	2	112.7143	0.858	3	112.7143	0.858	3	112.7143	0.858	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:2:4:2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	113.7680	0.000	1	112.7143	0.858	3	112.7143	0.858	3	112.7143	0.858	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:1:1:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	107.9625	1.658	4	107.9625	2.750	4	107.9625	2.750	4	107.9625	2.750	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C[5,6,6](C[5,6]C[5,6]CH)(N[5,6]C[6]O[5])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.9250	0.000	2	114.9250	0.000	2	114.9250	0.000	2	114.9250	0.000	2	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5,6]O[5]H)(C[5]C[5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>,6|C<4>}	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	110.0510	0.000	1	109.7465	0.185	2	109.7465	0.185	2	109.8923	0.157	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	109.4420	0.000	1	109.7465	0.185	2	109.7465	0.185	2	109.8923	0.157	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:I-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I){1|H<1>,1|O<1>,8|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[3,5,6]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,1|O<1>,5|H<1>,6|C<4>}	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	109.8923	0.157	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	110.6113	0.501	3	110.6113	0.251	3	110.6113	0.251	3	110.3595	0.421	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	110.3595	0.421	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	107.7910	0.059	2	107.7910	0.004	2	107.7910	0.004	2	108.0690	0.234	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.0690	0.234	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	113.3085	0.266	4	113.3085	0.071	4	113.3085	0.071	4	113.3085	0.071	4	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	108.8827	0.602	3	108.8827	0.363	3	108.8827	0.363	3	108.8827	0.363	3	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	110.7555	0.415	2	110.7555	0.172	2	110.7555	0.172	2	110.7555	0.172	2	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:2:4:1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	106.3630	0.000	1	106.3630	0.000	1	106.3630	0.000	1	106.3630	0.000	1	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	108.0240	0.130	2	108.0240	0.017	2	108.0240	0.017	2	108.0240	0.017	2	111.4137	10.374	67	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:4:3:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	112.6027	1.490	3	112.6027	2.221	3	112.6027	2.221	3	112.6027	2.221	3	112.6027	2.221	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:3:	4:4:2:1:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	112.4348	4.274	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[3x6]C[5,3x6]C[4x6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	112.4348	4.274	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	112.4348	4.274	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[3x6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.3975	0.029	2	112.3975	0.001	2	112.3975	0.001	2	112.3975	0.001	2	112.4348	4.274	5	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[4x6]	C[5,6]	4:4:4:1:	4:4:3:2:	4:4:4:4:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	115.3520	0.000	1	115.3520	0.000	1	115.3520	0.000	1	115.3520	0.000	1	115.3520	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,3x6]	4:4:4:1:	4:4:3:4:	4:4:4:4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,6,6]HH)(H){2|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,6,6]2C[5])(C[5,6]C[6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,5|C<4>,7|H<1>}	114.6450	0.557	3	114.6450	0.310	3	114.6450	0.310	3	114.6450	0.310	3	114.6450	0.310	3	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:3:4:3:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,5,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:3:4:2:	4:3:4:2:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:3:1:	4:4:2:3:	4:3:4:4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO){1|N<3>,2|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	112.3925	0.462	2	112.3925	0.213	2	112.3925	0.213	2	112.3925	0.213	2	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	4:3:3:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.3150	0.672	2	111.3150	0.451	2	111.3150	0.451	2	111.3150	0.451	2	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]HH){4|C<4>,8|H<1>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:3:2:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	113.0739	6.671	12	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:4:2:2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|H<1>,3|C<3>,5|C<4>}	118.8120	1.219	2	118.8120	1.486	2	118.8120	1.486	2	118.8120	1.486	2	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:2:4:2:	4:3:4:3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[6]-4:O[6]-2:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:3:4:4:	4:4:4:3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	111.4380	0.575	4	111.4380	0.331	4	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	112.9910	0.000	1	111.2582	2.043	6	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	110.9116	1.286	5	111.2582	2.043	6	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	111.3210	0.000	1	111.3210	0.000	1	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	110.8680	0.000	1	110.8680	0.000	1	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	113.2880	0.000	1	113.2880	0.000	1	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	112.1785	0.081	2	111.8877	0.257	3	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	111.3060	0.000	1	111.8877	0.257	3	111.5276	1.077	16	111.5276	1.077	16	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	112.4313	7.871	25	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:1:	4:4:3:1:	4:3:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:2:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	116.0190	0.139	2	116.0190	0.019	2	114.2668	1.919	6	114.2668	1.919	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:2:	4:3:4:1:	4:4:3:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	113.3907	0.349	4	113.3907	0.122	4	114.2668	1.919	6	114.2668	1.919	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:3:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.8420	0.000	1	111.2925	0.604	2	111.2925	0.604	2	111.2925	0.604	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.7430	0.000	1	111.2925	0.604	2	111.2925	0.604	2	111.2925	0.604	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.7375	0.326	4	108.8565	0.098	6	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.0945	0.032	2	108.8565	0.098	6	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.7130	0.000	1	108.7130	0.000	1	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.6560	0.000	1	110.6367	3.086	3	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	111.6270	0.536	2	110.6367	3.086	3	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	108.4250	0.000	1	108.4250	0.000	1	109.2897	1.431	11	109.2897	1.431	11	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:3:4:1:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	3:4:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	3:4:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.6650	0.000	1	117.6650	0.000	1	111.0882	14.069	5	111.0882	14.069	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.4440	0.858	4	109.4440	0.736	4	111.0882	14.069	5	111.0882	14.069	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:3:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:3:4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	106.8930	0.000	1	106.8930	0.000	1	110.4349	6.484	7	110.4349	6.484	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	108.2860	1.286	2	108.2860	1.653	2	110.4349	6.484	7	110.4349	6.484	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	112.2370	0.081	2	112.2370	0.006	2	110.4349	6.484	7	110.4349	6.484	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.5610	0.000	1	112.5525	0.000	2	110.4349	6.484	7	110.4349	6.484	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.5440	0.000	1	112.5525	0.000	2	110.4349	6.484	7	110.4349	6.484	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.5840	0.000	1	105.5840	0.000	1	105.5840	0.000	1	105.5840	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:2:3:	4:4:4:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.6365	0.209	2	111.6365	0.044	2	111.6365	0.044	2	111.6365	0.044	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.5780	0.000	1	112.5780	0.000	1	113.2615	0.408	4	112.6999	1.703	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.4893	0.548	3	113.4893	0.301	3	113.2615	0.408	4	112.6999	1.703	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	112.6999	1.703	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	113.1950	0.000	1	113.1950	0.000	1	112.9445	0.126	2	112.6999	1.703	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	112.6940	0.000	1	112.6940	0.000	1	112.9445	0.126	2	112.6999	1.703	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.5810	0.477	2	112.0690	0.900	3	112.0690	0.900	3	112.0690	0.900	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.0450	0.000	1	112.0690	0.900	3	112.0690	0.900	3	112.0690	0.900	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:3:2:	3:4:4:1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(H)2{1|H<1>,1|O<1>,5|C<4>}	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	110.7395	0.902	2	110.7395	0.813	2	110.7395	0.813	2	110.7395	0.813	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:3:	4:4:2:1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	116.1340	0.000	1	116.1340	0.000	1	116.1340	0.000	1	116.1340	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	114.6075	0.083	2	114.6075	0.007	2	114.6075	0.007	2	114.6075	0.007	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:2:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:3:2:	4:4:4:1:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	113.2410	1.840	3	113.2410	3.384	3	113.2410	3.384	3	113.2410	3.384	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:2:4:	4:4:4:1:	4:4:3:2:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	112.0460	0.600	2	112.0460	0.360	2	112.0460	0.360	2	112.0460	0.360	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	115.0217	9.718	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.6050	0.000	1	113.6050	0.000	1	113.6050	0.000	1	115.0217	9.718	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.5925	4.386	2	116.5925	19.239	2	116.5925	19.239	2	115.0217	9.718	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.4570	0.000	1	114.4570	0.000	1	114.4570	0.000	1	114.4570	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:2:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	112.8540	0.280	2	112.8540	0.078	2	112.8540	0.078	2	112.8540	0.078	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)2(H)2{1|C<3>,2|C<4>,4|H<1>}	109.6660	0.349	2	109.6660	0.122	2	109.6660	0.122	2	109.6660	0.122	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.9490	0.000	1	112.3995	0.604	2	112.3995	0.604	2	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	111.8500	0.000	1	112.3995	0.604	2	112.3995	0.604	2	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.6240	0.000	1	114.6240	0.000	1	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.7350	0.450	2	112.0968	0.254	4	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4585	0.189	2	112.0968	0.254	4	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	112.2070	0.000	1	112.2070	0.000	1	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	112.2450	0.000	1	112.2450	0.000	1	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.0850	0.000	1	112.5345	0.606	2	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.9840	0.000	1	112.5345	0.606	2	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.5170	0.000	1	112.5170	0.000	1	112.5049	0.743	10	112.6869	0.745	15	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:3:2:1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|N<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	111.0500	0.595	3	111.0500	0.354	3	111.0500	0.354	3	111.0500	0.354	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.3950	0.000	1	113.3950	0.000	1	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.4990	0.000	1	111.4990	0.000	1	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	112.0600	0.730	2	112.2003	0.325	3	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	112.4810	0.000	1	112.2003	0.325	3	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.3030	0.000	1	112.3030	0.000	1	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.0925	0.185	2	111.2801	0.263	11	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.0020	0.000	1	111.2801	0.263	11	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.1962	0.548	6	111.2801	0.263	11	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.5160	0.000	1	111.2801	0.263	11	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.2010	0.000	1	111.2801	0.263	11	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.2860	0.501	2	113.2860	0.251	2	111.8132	0.794	19	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	111.8984	0.791	21	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:3:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]O[5,6]C[5]H)(C[5]C[5]CH)(CNO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:3:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	107.2235	1.691	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	107.2235	1.691	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	114.9070	0.000	1	114.9070	0.000	1	115.4352	0.963	4	115.4352	0.963	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	116.1200	0.000	1	116.1200	0.000	1	115.4352	0.963	4	115.4352	0.963	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	116.3890	0.000	1	116.3890	0.000	1	115.4352	0.963	4	115.4352	0.963	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	114.3250	0.000	1	114.3250	0.000	1	115.4352	0.963	4	115.4352	0.963	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:2:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5]C)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	118.9740	0.000	1	119.1345	0.052	2	119.1345	0.052	2	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.2950	0.000	1	119.1345	0.052	2	119.1345	0.052	2	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	117.3095	0.685	2	117.4474	0.192	5	117.4474	0.192	5	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	117.5310	0.000	1	117.4474	0.192	5	117.4474	0.192	5	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	117.5435	0.483	2	117.4474	0.192	5	117.4474	0.192	5	117.9850	0.694	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:2:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:2:	4:4:4:1:	4:4:3:2:	C[6,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:2:	4:4:4:4:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:3:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	107.9485	0.576	2	107.9485	0.332	2	107.9485	0.332	2	107.9485	0.332	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.5370	0.000	1	108.5370	0.000	1	109.2606	0.950	5	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	109.5000	0.000	1	109.9190	0.204	3	109.2606	0.950	5	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	110.1285	0.380	2	109.9190	0.204	3	109.2606	0.950	5	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.0090	0.000	1	108.0090	0.000	1	109.2606	0.950	5	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.1785	1.151	2	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	109.4200	0.000	1	109.4200	0.000	1	110.1785	1.151	2	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	108.8145	0.210	2	108.8145	0.044	2	108.8145	0.044	2	109.3654	0.872	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	108.1900	0.453	2	108.1900	0.205	2	109.9659	1.908	8	109.9659	1.908	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	111.1775	1.296	2	111.1775	1.680	2	109.9659	1.908	8	109.9659	1.908	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.6075	1.165	2	110.6075	1.356	2	109.9659	1.908	8	109.9659	1.908	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	110.0250	0.000	1	109.8885	0.037	2	109.9659	1.908	8	109.9659	1.908	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	109.7520	0.000	1	109.8885	0.037	2	109.9659	1.908	8	109.9659	1.908	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	105.6430	0.000	1	105.6430	0.000	1	105.6430	0.000	1	105.6430	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:2:2:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,4|H<1>}	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:2:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	113.5870	0.455	2	113.5870	0.207	2	113.5870	0.207	2	113.5870	0.207	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	107.7330	0.000	1	108.3417	0.319	3	108.3417	0.319	3	108.3417	0.319	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	108.8490	0.000	1	108.3417	0.319	3	108.3417	0.319	3	108.3417	0.319	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	108.4430	0.000	1	108.3417	0.319	3	108.3417	0.319	3	108.3417	0.319	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	111.9545	0.035	2	111.9545	0.001	2	111.9545	0.001	2	113.1466	1.187	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	113.1466	1.187	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	113.9065	0.033	2	113.9065	0.001	2	113.9065	0.001	2	113.1466	1.187	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.5148	0.156	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	113.2440	0.000	1	113.6425	0.318	2	113.4742	0.197	4	113.5148	0.156	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	114.0410	0.000	1	113.6425	0.318	2	113.4742	0.197	4	113.5148	0.156	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	113.5890	0.000	1	113.3060	0.160	2	113.4742	0.197	4	113.5148	0.156	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	113.0230	0.000	1	113.3060	0.160	2	113.4742	0.197	4	113.5148	0.156	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.6610	0.000	1	112.6610	0.000	1	112.9912	0.068	5	112.9912	0.068	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.1190	0.000	1	113.1190	0.000	1	112.9912	0.068	5	112.9912	0.068	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	113.3550	0.000	1	113.1475	0.086	2	112.9912	0.068	5	112.9912	0.068	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	112.9400	0.000	1	113.1475	0.086	2	112.9912	0.068	5	112.9912	0.068	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.9912	0.068	5	112.9912	0.068	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	115.6620	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.1280	0.000	1	115.4135	0.153	4	115.4135	0.153	4	115.4135	0.153	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	115.7030	0.354	2	115.4135	0.153	4	115.4135	0.153	4	115.4135	0.153	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	115.1200	0.000	1	115.4135	0.153	4	115.4135	0.153	4	115.4135	0.153	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:3:4:4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	110.8445	0.373	2	110.8445	0.139	2	110.8445	0.139	2	110.8445	0.139	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	112.9057	0.613	3	112.9057	0.376	3	112.9057	0.376	3	112.9057	0.376	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.7010	0.287	2	111.7010	0.082	2	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.3380	0.000	1	111.3380	0.000	1	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.5540	0.000	1	111.5267	0.023	3	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	111.6620	0.000	1	111.5267	0.023	3	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	111.3640	0.000	1	111.5267	0.023	3	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	113.2710	0.000	1	113.2710	0.000	1	111.7987	0.458	7	111.7617	0.454	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	113.2373	0.515	4	113.2373	0.265	4	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.9740	0.000	2	113.9740	0.000	2	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.6500	0.000	1	112.0235	0.279	2	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	112.3970	0.000	1	112.0235	0.279	2	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.5380	0.396	2	112.6695	0.113	4	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.8010	0.338	2	112.6695	0.113	4	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.2460	0.314	2	112.9540	0.154	5	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.7593	0.342	3	112.9540	0.154	5	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.4560	0.849	2	113.4560	0.720	2	113.0160	0.424	19	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.6750	0.000	1	111.6750	0.000	1	111.8540	0.064	2	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.0330	0.000	1	112.0330	0.000	1	111.8540	0.064	2	112.8834	0.491	23	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:2:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	118.2855	0.019	2	118.2855	0.000	2	118.2855	0.000	2	118.2855	0.000	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:3:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	112.1850	0.000	1	112.1850	0.000	1	112.9797	0.499	6	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	113.0215	0.698	4	113.1386	0.434	5	112.9797	0.499	6	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	113.6070	0.000	1	113.1386	0.434	5	112.9797	0.499	6	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	111.8690	0.000	2	111.8690	0.000	2	111.8690	0.000	2	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	112.7495	0.496	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|Cl<1>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	112.9350	0.000	1	112.9350	0.000	1	112.9047	0.010	3	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	112.8895	0.135	2	112.8895	0.018	2	112.9047	0.010	3	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	114.2630	1.169	4	114.2630	1.366	4	113.8458	1.270	6	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	113.0115	0.401	2	113.0115	0.161	2	113.8458	1.270	6	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	112.1430	0.000	1	112.1430	0.000	1	112.5960	0.410	2	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	113.0490	0.000	1	113.0490	0.000	1	112.5960	0.410	2	113.2650	1.020	12	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.1410	0.000	1	112.1410	0.000	1	111.9490	0.074	2	111.9490	0.074	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	111.7570	0.000	1	111.7570	0.000	1	111.9490	0.074	2	111.9490	0.074	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.6540	0.000	1	114.6540	0.000	1	114.2225	0.372	2	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	113.7910	0.000	1	113.7910	0.000	1	114.2225	0.372	2	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	113.4160	0.000	1	113.4160	0.000	1	113.4160	0.000	1	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	117.0960	0.000	1	117.3903	0.077	3	117.3903	0.077	3	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	117.5375	0.155	2	117.3903	0.077	3	117.3903	0.077	3	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	114.2490	0.330	3	114.2490	0.109	3	113.9082	0.369	5	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	113.3970	0.624	2	113.3970	0.389	2	113.9082	0.369	5	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	114.1500	0.000	1	114.1500	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.8540	0.000	1	113.8540	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	113.4330	0.686	2	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	113.2370	0.000	1	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	113.9940	0.000	1	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	114.3875	0.377	4	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	112.3060	0.000	1	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	113.6520	0.000	1	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	114.1480	0.918	2	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	114.0680	0.416	2	113.8598	0.501	14	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	112.2805	0.107	4	112.5134	0.280	5	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	113.4450	0.000	1	112.5134	0.280	5	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	112.7480	0.395	2	112.7480	0.156	2	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	113.3690	1.100	3	113.2750	0.842	4	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	112.9930	0.000	1	113.2750	0.842	4	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.3590	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	114.2150	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.7470	0.575	11	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.4510	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.1950	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	113.1725	0.917	4	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	113.7970	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	113.3210	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	113.4195	0.441	4	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.8558	0.374	5	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.1754	0.643	39	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.6570	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.4650	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.9930	0.000	1	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.6785	0.299	2	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.1330	0.267	3	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.3990	0.406	2	113.2369	0.394	79	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	113.5850	0.769	2	113.5850	0.592	2	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.2970	0.000	1	113.2970	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.2700	0.000	1	113.2700	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	112.0650	0.000	1	112.0650	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.1990	0.000	1	114.1990	0.000	1	113.2939	0.483	112	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	113.6700	0.000	1	113.6700	0.000	1	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	113.0560	0.000	1	113.0560	0.000	1	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.5570	0.000	1	113.5570	0.000	1	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	112.6990	0.000	1	112.6990	0.000	1	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	112.3515	0.332	2	112.3515	0.110	2	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.2588	0.587	18	112.3810	0.414	26	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	112.7175	1.661	2	112.3810	0.414	26	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.5440	0.072	2	112.3810	0.414	26	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	112.6810	0.522	4	112.3810	0.414	26	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	111.4367	0.083	3	111.4367	0.007	3	112.3971	0.492	35	113.2027	0.970	159	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	113.3260	0.000	1	113.3260	0.000	1	113.4925	7.424	4	113.0357	4.986	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	117.3010	0.000	1	113.5480	11.118	3	113.4925	7.424	4	113.0357	4.986	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	111.6715	1.053	2	113.5480	11.118	3	113.4925	7.424	4	113.0357	4.986	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	111.8450	0.000	1	112.1220	0.153	2	112.1220	0.153	2	113.0357	4.986	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	112.3990	0.000	1	112.1220	0.153	2	112.1220	0.153	2	113.0357	4.986	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	111.6540	0.498	2	111.6540	0.248	2	112.2050	1.248	4	112.2050	1.248	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	112.7560	1.510	2	112.7560	2.281	2	112.2050	1.248	4	112.2050	1.248	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	114.3340	0.164	3	114.3340	0.027	3	114.3340	0.027	3	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,2|C<4>,3|O<2>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	114.1500	0.000	1	114.1500	0.000	1	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	113.0157	0.061	3	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	114.1950	0.000	1	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	113.0950	0.000	1	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	113.2010	0.313	2	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	113.9840	0.000	1	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	113.5160	0.034	2	113.3755	0.191	10	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	112.5170	0.000	1	112.5170	0.000	1	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,9|H<1>}	114.0590	0.000	1	114.0590	0.000	1	113.4216	0.291	13	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	114.0050	0.000	1	114.0050	0.000	1	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.7450	0.000	1	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.2120	0.464	9	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	113.2890	0.000	1	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.5285	0.709	2	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	113.4700	0.000	1	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.2223	1.151	3	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	113.1500	0.000	1	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	114.7060	0.000	1	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.3342	0.441	10	114.2184	0.358	29	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	113.3360	0.492	4	113.3360	0.242	4	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.5835	0.368	4	114.5108	0.128	5	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.2200	0.000	1	114.5108	0.128	5	114.1599	0.388	39	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	114.1350	0.000	1	114.1350	0.000	1	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	112.9700	0.000	1	112.9700	0.000	1	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	113.2880	0.000	1	113.2880	0.000	1	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	113.6260	0.175	2	113.6260	0.031	2	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	112.6280	0.000	1	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	113.1170	0.000	1	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	115.2110	0.000	1	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	113.6630	0.000	1	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	113.8255	0.344	2	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	111.4270	0.000	1	113.3853	1.399	7	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	114.1356	0.867	5	114.1356	0.751	5	113.6482	0.871	17	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	114.4490	0.000	1	114.4490	0.000	1	114.0118	0.187	8	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	114.0640	0.327	6	114.0640	0.107	6	114.0118	0.187	8	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	113.2610	0.000	1	113.2610	0.000	1	114.0118	0.187	8	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[4,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){3|C<4>,9|H<1>}	112.4365	0.917	2	112.4365	0.841	2	112.4365	0.841	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	111.9540	0.000	1	111.9540	0.000	1	112.4805	0.554	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	113.0070	0.000	1	113.0070	0.000	1	112.4805	0.554	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	112.8010	0.116	2	112.8010	0.013	2	113.1203	0.313	3	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	113.7590	0.000	1	113.7590	0.000	1	113.1203	0.313	3	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	112.3800	0.000	1	112.3800	0.000	1	112.3455	0.002	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	112.3110	0.000	1	112.3110	0.000	1	112.3455	0.002	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	113.7490	0.182	2	113.7490	0.033	2	113.7490	0.033	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.1550	0.000	1	112.1550	0.000	1	112.6400	0.470	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.1250	0.000	1	113.1250	0.000	1	112.6400	0.470	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	115.0075	0.282	2	115.0075	0.080	2	115.0075	0.080	2	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	112.4510	0.000	1	112.4510	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	111.7553	0.298	4	111.5612	0.179	6	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	111.1730	0.421	2	111.5612	0.179	6	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	112.0478	0.877	6	111.6769	1.604	7	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	109.4510	0.000	1	111.6769	1.604	7	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	116.3795	0.486	2	116.3795	0.236	2	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.9690	0.000	1	114.5450	0.124	5	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.6130	0.000	1	114.5450	0.124	5	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.7143	0.193	3	114.5450	0.124	5	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.2710	0.000	1	113.2710	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	112.7270	0.000	1	112.9833	0.093	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	113.1115	0.296	2	112.9833	0.093	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	113.6480	0.437	4	113.7990	0.258	5	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	114.4030	0.000	1	113.7990	0.258	5	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.1290	0.000	1	115.8710	1.101	2	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	116.6130	0.000	1	115.8710	1.101	2	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	116.5320	0.000	1	116.5320	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.0130	0.000	1	115.0130	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.2600	0.042	2	114.2600	0.002	2	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	114.3470	0.000	1	114.3470	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	115.3440	0.315	2	115.0103	0.384	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	114.3430	0.000	1	115.0103	0.384	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	115.5730	0.000	1	115.5730	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.5120	0.113	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	115.4165	0.548	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.8560	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.0740	0.048	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.1680	0.455	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.1783	0.721	62	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8508	0.383	6	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.0740	0.167	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.5300	0.817	3	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1403	0.287	3	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.4280	0.069	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8760	0.351	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	113.5295	0.203	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	115.6360	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.4940	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	113.7770	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.8218	0.518	12	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.1760	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.8260	0.181	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.0178	0.759	10	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8280	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	115.2470	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	114.0870	0.000	1	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.5920	0.625	2	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.4770	0.463	3	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.7207	0.951	48	114.7562	0.769	175	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	114.8094	0.870	26	114.8094	0.757	26	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	116.1990	0.000	1	114.8296	0.875	8	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	114.6340	0.814	7	114.8296	0.875	8	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	114.1070	1.109	3	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	114.2100	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	113.3940	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.4300	0.703	3	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.9840	0.600	5	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.4895	0.005	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.6245	0.185	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	112.6120	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	113.0975	0.473	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	113.4755	0.124	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.6920	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.6380	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.5955	0.148	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.9770	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	114.6930	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	113.8250	0.437	3	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.5010	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	113.3550	1.058	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.8660	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8510	0.000	1	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.6797	0.641	3	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8775	0.551	2	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1371	0.595	37	113.9177	0.419	78	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.2417	1.392	4	114.2417	1.938	4	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.0440	0.829	2	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	114.5810	0.362	2	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1370	0.000	1	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.4700	0.000	1	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.7766	0.770	8	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1520	0.000	1	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.8480	0.000	1	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.8630	0.685	11	113.9097	0.473	27	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	112.0750	0.000	1	112.0750	0.000	1	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	114.7820	0.000	2	114.7820	0.000	2	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.8260	0.323	4	114.4747	0.360	6	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.7720	0.081	2	114.4747	0.360	6	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	115.4940	0.000	2	114.7585	0.747	94	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	114.7425	0.867	92	114.7585	0.747	94	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1100	0.000	1	113.5527	1.109	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.3380	0.000	1	113.5527	1.109	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.2100	0.000	1	113.5527	1.109	3	114.4464	1.081	465	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.1435	0.298	2	113.8233	0.352	3	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.1830	0.000	1	113.8233	0.352	3	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	113.5310	0.000	1	113.5310	0.000	1	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	113.4800	0.000	1	113.4800	0.000	1	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	113.1223	0.340	6	113.1223	0.116	6	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.6470	0.000	1	114.6470	0.000	1	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.7077	0.168	3	113.7077	0.028	3	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.7630	0.000	1	112.8138	0.414	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	112.6750	0.000	1	112.8138	0.414	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	112.7923	0.624	35	112.8138	0.414	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	112.2840	0.000	1	112.8138	0.414	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	114.2860	0.000	1	112.8138	0.414	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	113.0444	0.581	29	113.0376	0.386	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	112.6953	0.398	7	113.0376	0.386	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	113.3540	0.884	2	113.0376	0.386	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	114.6010	0.000	1	113.0376	0.386	39	113.0235	0.434	93	114.1401	1.204	658	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:N[6]-2:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6])	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2N[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[5,6]O[5])(C[5]C[5]HO)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	113.0835	0.483	2	113.0835	0.233	2	113.0835	0.233	2	114.0373	2.846	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	114.0373	2.846	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	116.8940	0.000	1	115.9813	0.625	3	115.9813	0.625	3	116.2468	0.698	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	115.5250	0.000	2	115.9813	0.625	3	115.9813	0.625	3	116.2468	0.698	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	116.2468	0.698	4	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	115.6565	1.230	2	115.6565	1.512	2	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	116.3510	0.000	1	116.5090	0.093	5	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	116.3340	0.389	2	116.5090	0.093	5	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	116.7020	0.000	1	116.5090	0.093	5	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	116.8240	0.000	1	116.5090	0.093	5	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.6270	0.552	2	115.6270	0.304	2	116.1136	0.430	10	116.1136	0.430	10	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH){3|C<4>,6|H<1>}	116.2840	0.000	1	116.2840	0.000	1	116.2840	0.000	1	116.9060	0.774	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	116.9060	0.774	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	113.7835	0.235	2	113.7835	0.055	2	113.7835	0.055	2	112.8934	1.111	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	112.1170	0.000	1	112.7117	0.302	3	112.7117	0.302	3	112.8934	1.111	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	113.0090	0.273	2	112.7117	0.302	3	112.7117	0.302	3	112.8934	1.111	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	111.5785	0.177	2	111.5785	0.032	2	112.4817	2.463	3	112.8934	1.111	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	114.2880	0.000	1	114.2880	0.000	1	112.4817	2.463	3	112.8934	1.111	8	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	115.9690	1.017	2	115.9690	1.034	2	115.9690	1.034	2	115.9690	1.034	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	117.3510	0.000	1	117.3510	0.000	1	117.3510	0.000	1	117.8664	0.214	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	117.7977	0.167	3	117.7977	0.028	3	117.9952	0.175	4	117.8664	0.214	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	118.5880	0.000	1	118.5880	0.000	1	117.9952	0.175	4	117.8664	0.214	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	112.9120	0.407	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	112.9120	0.407	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	111.6570	0.039	4	111.6570	0.002	4	111.6570	0.002	4	111.8986	0.536	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.0918	0.966	5	111.8986	0.536	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.9430	0.000	1	112.0837	1.287	4	112.0918	0.966	5	111.8986	0.536	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	113.1530	0.000	1	112.0837	1.287	4	112.0918	0.966	5	111.8986	0.536	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.1195	0.347	2	112.0837	1.287	4	112.0918	0.966	5	111.8986	0.536	9	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	114.0660	0.000	1	114.0660	0.000	1	113.3338	0.400	4	113.3172	0.302	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.8000	0.000	1	112.8000	0.000	1	113.3338	0.400	4	113.3172	0.302	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.6590	0.000	1	113.6590	0.000	1	113.3338	0.400	4	113.3172	0.302	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.8100	0.000	1	112.8100	0.000	1	113.3338	0.400	4	113.3172	0.302	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.3172	0.302	5	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.4230	0.484	2	114.4230	0.234	2	114.4230	0.234	2	114.0183	0.608	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	113.2090	0.000	1	113.2090	0.000	1	113.2090	0.000	1	114.0183	0.608	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.1060	0.000	1	114.1060	0.000	1	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	113.8980	0.000	1	113.7452	0.308	11	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.9420	0.000	1	113.7452	0.308	11	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	113.8174	0.543	9	113.7452	0.308	11	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	113.9600	0.000	1	113.9600	0.000	1	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	112.1600	0.000	1	112.5895	0.369	2	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	113.0190	0.000	1	112.5895	0.369	2	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	114.4210	0.000	1	114.4210	0.000	1	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.8000	0.000	1	114.8000	0.000	1	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.8380	0.000	1	113.7690	0.126	4	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.8900	0.000	1	113.7690	0.126	4	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	113.2610	0.000	1	113.7690	0.126	4	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	114.0870	0.000	1	113.7690	0.126	4	113.7495	0.412	21	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	112.0170	0.191	2	112.0170	0.036	2	112.0170	0.036	2	113.6508	0.663	24	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:2:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:3:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	115.5337	0.724	3	115.5337	0.524	3	115.5337	0.524	3	115.5337	0.524	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:3:4:2:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	111.6515	0.322	2	111.6515	0.104	2	111.6515	0.104	2	111.6515	0.104	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H){3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.0385	0.507	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	109.0385	0.507	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	3:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.2325	0.545	2	110.2325	0.297	2	110.2325	0.297	2	110.2325	0.297	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	107.2150	0.000	1	107.2150	0.000	1	107.2310	0.051	3	107.2310	0.051	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	107.4640	0.000	1	107.2390	0.101	2	107.2310	0.051	3	107.2310	0.051	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	107.0140	0.000	1	107.2390	0.101	2	107.2310	0.051	3	107.2310	0.051	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H){1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	107.9987	3.489	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	107.9987	3.489	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.9987	3.489	3	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	108.9547	0.473	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.4465	0.562	2	108.4465	0.316	2	108.7680	0.275	6	108.9547	0.473	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	109.6090	0.000	1	109.1023	0.193	3	108.7680	0.275	6	108.9547	0.473	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	108.8490	0.041	2	109.1023	0.193	3	108.7680	0.275	6	108.9547	0.473	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	108.4080	0.000	1	108.4080	0.000	1	108.7680	0.275	6	108.9547	0.473	7	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.3870	0.000	1	107.3870	0.000	1	107.8168	2.509	5	107.6270	2.223	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.5370	0.000	1	106.5370	0.000	1	107.8168	2.509	5	107.6270	2.223	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	107.2890	0.096	2	107.2890	0.009	2	107.8168	2.509	5	107.6270	2.223	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	110.5820	0.000	1	110.5820	0.000	1	107.8168	2.509	5	107.6270	2.223	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	107.6270	2.223	6	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	109.1130	0.000	1	110.2405	0.305	13	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	111.2580	0.000	1	110.2405	0.305	13	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	110.5523	0.308	3	110.2405	0.305	13	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	110.1372	0.335	8	110.2405	0.305	13	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	110.1830	0.000	1	110.1830	0.000	1	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	110.0820	0.000	1	110.0820	0.000	1	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	110.1350	0.000	1	110.1350	0.000	1	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	110.3000	0.000	1	110.7290	0.604	3	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	110.9435	0.965	2	110.7290	0.604	3	110.3007	0.309	19	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<1>,3|H<1>}	108.8373	0.288	3	108.8994	0.077	5	109.0475	0.193	6	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.9925	0.334	2	108.8994	0.077	5	109.0475	0.193	6	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.0475	0.193	6	109.9141	0.739	26	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	109.7990	0.000	1	109.8700	0.010	2	109.8700	0.010	2	109.8700	0.010	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	109.9410	0.000	1	109.8700	0.010	2	109.8700	0.010	2	109.8700	0.010	2	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.5767	0.283	6	109.6339	0.092	8	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	109.8055	0.404	2	109.6339	0.092	8	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	109.8008	0.555	5	109.9363	1.100	14	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	110.0116	1.271	9	109.9363	1.100	14	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	108.8290	0.000	1	108.5477	0.094	3	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	108.2220	0.000	1	108.5477	0.094	3	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	108.5920	0.000	1	108.5477	0.094	3	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	108.2300	0.000	1	109.7994	0.907	7	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	109.9310	0.000	1	109.7994	0.907	7	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	110.0870	0.798	5	109.7994	0.907	7	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6,6]	C[5,6]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	110.0530	0.452	3	110.0530	0.204	3	109.7308	0.770	35	109.7209	0.752	36	113.3333	4.163	1271	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:3:4:1:	4:3:1:1:	4:4:4:4:	C[3x5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	113.5415	4.180	2	113.5415	17.470	2	113.5415	17.470	2	113.5415	17.470	2	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:3:1:	4:4:1:1:	4:4:4:3:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2){11|H<1>,1|C<4>,2|O<1>}	115.0490	0.201	2	115.0490	0.040	2	115.0490	0.040	2	115.0490	0.040	2	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[3x5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	C[3x5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2H)2{11|H<1>,1|C<4>,1|O<2>,2|O<1>}	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:3:4:	4:3:4:1:	4:4:4:3:	C[3x5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C[5,5]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,8|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[3x5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[5,5]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[5,5]C[5]2){1|Si<4>,1|O<1>,2|C<4>,8|H<1>}	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2{1|C<3>,1|O<1>,2|C<4>,8|H<1>}	107.9760	1.345	2	107.9760	1.809	2	107.9760	1.809	2	107.9760	1.809	2	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[3x5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5])	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(O[5]C[5]){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	112.1173	11.040	10	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[4x5,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:3:	C[4x5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3x5,6]-4:C[3x5,3x6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[4x5,6,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[3x5,3x6]C[5,6,6]2C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:3:2:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	113.5840	0.288	3	113.5840	0.083	3	112.9204	0.400	17	112.9204	0.400	17	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:3:2:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	112.9687	0.637	6	112.7782	0.356	14	112.9204	0.400	17	112.9204	0.400	17	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:3:2:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	112.6354	0.564	8	112.7782	0.356	14	112.9204	0.400	17	112.9204	0.400	17	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:4:2:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:4:3:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:2:4:1:	4:4:4:1:	3:4:4:4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	112.7690	0.000	1	112.7690	0.000	1	112.7690	0.000	1	112.7690	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:2:1:	3:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[4x6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,3x6](C[4x6]C[6,6a]C[6,6]2)(C[5,6,6]C[3x6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	115.7955	0.547	2	115.7955	0.299	2	115.7955	0.299	2	115.7955	0.299	2	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	C[5,3x6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6]2C){2|C<3>,4|C<4>,7|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:2:4:	4:3:1:1:	3:4:4:2:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:3:4:4:	4:4:3:3:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)(H){1|O<2>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	115.5740	0.310	2	115.5740	0.096	2	115.5740	0.096	2	115.5740	0.096	2	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	113.2773	2.611	29	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,4x6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	111.6671	1.794	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,4x6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	111.6671	1.794	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	111.8190	0.617	3	111.8190	0.380	3	111.8190	0.380	3	111.8190	0.380	3	111.6671	1.794	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	112.1190	0.000	1	111.6280	0.482	2	111.6280	0.482	2	111.6280	0.482	2	111.6671	1.794	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,4x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	111.1370	0.000	1	111.6280	0.482	2	111.6280	0.482	2	111.6280	0.482	2	111.6671	1.794	7	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:3:4:3:	4:4:1:1:	4:3:4:4:	C[5,5,6,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:2:1:	4:2:2:1:	4:4:2:4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:2:2:	4:3:2:1:	4:4:4:3:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:N[5]-3:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:2:3:	4:3:1:1:	4:4:4:1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]O){10|H<1>,1|C<3>,1|C<4>,1|S<4>}	113.8230	0.000	1	113.8230	0.000	1	113.8230	0.000	1	113.8230	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:3:4:2:	4:3:4:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	114.6305	0.453	2	114.6305	0.205	2	114.6305	0.205	2	114.6305	0.205	2	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	114.4760	0.000	1	115.2067	0.397	4	115.2648	0.315	5	115.2648	0.315	5	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,1|C<3>,4|C<4>}	115.6760	0.417	2	115.2067	0.397	4	115.2648	0.315	5	115.2648	0.315	5	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){11|H<1>,5|C<4>}	114.9990	0.000	1	115.2067	0.397	4	115.2648	0.315	5	115.2648	0.315	5	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	C[5,6](C[5,5,6,6]C[5,5,6]2C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	115.4970	0.000	1	115.4970	0.000	1	115.2648	0.315	5	115.2648	0.315	5	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:2:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.3600	0.002	2	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:3:	4:2:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3600	0.002	2	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6,6]	4:4:4:4:	4:2:1:1:	4:4:4:3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	113.6841	9.432	15	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:2:4:1:	4:3:3:1:	3:4:4:4:	C[5,5,6]-4:N[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:2:4:1:	4:3:4:4:	4:4:4:3:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[5]O[5]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	3:4:3:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	111.1830	0.038	2	111.1830	0.001	2	111.1830	0.001	2	111.1830	0.001	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	108.5770	0.126	3	108.5770	0.016	3	108.5770	0.016	3	108.5770	0.016	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2{2|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:2:1:	3:4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:3:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	3:4:2:4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|H<1>}	112.5490	0.332	2	112.7880	0.227	3	112.7880	0.227	3	112.7880	0.227	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	3:4:2:4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	113.2660	0.000	1	112.7880	0.227	3	112.7880	0.227	3	112.7880	0.227	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:F-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F)	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:4:2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	113.5850	0.000	1	113.5850	0.000	1	113.7342	0.045	5	113.7342	0.045	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	113.7715	0.224	4	113.7715	0.050	4	113.7342	0.045	5	113.7342	0.045	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:4:2:4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{3|C<3>,4|C<4>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	114.3120	0.000	1	114.3120	0.000	1	114.3120	0.000	1	112.8257	0.475	11	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	111.7060	0.000	1	112.4195	1.018	2	112.6771	0.258	10	112.8257	0.475	11	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	113.1330	0.000	1	112.4195	1.018	2	112.6771	0.258	10	112.8257	0.475	11	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	112.8280	0.296	4	112.7415	0.163	8	112.6771	0.258	10	112.8257	0.475	11	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:1:	4:4:3:2:	4:3:4:4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	112.6550	0.522	4	112.7415	0.163	8	112.6771	0.258	10	112.8257	0.475	11	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	108.9260	0.000	1	108.9260	0.000	1	109.4263	0.582	3	109.4263	0.582	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:2:	4:4:1:1:	4:3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	109.6765	0.887	2	109.6765	0.788	2	109.4263	0.582	3	109.4263	0.582	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	115.2717	0.319	4	115.2717	0.102	4	115.2717	0.102	4	115.2717	0.102	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:3:4:4:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	3:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(O[5]N[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:2:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.0940	0.000	1	110.9084	0.083	9	110.8799	0.082	10	110.8799	0.082	10	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.2960	0.000	1	110.9084	0.083	9	110.8799	0.082	10	110.8799	0.082	10	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.7997	0.284	6	110.9084	0.083	9	110.8799	0.082	10	110.8799	0.082	10	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	110.9880	0.000	1	110.9084	0.083	9	110.8799	0.082	10	110.8799	0.082	10	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.8799	0.082	10	110.8799	0.082	10	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:2:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|O<2>,5|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,6|H<1>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	113.3297	1.920	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	112.5300	0.048	2	112.5300	0.002	2	112.5300	0.002	2	113.3297	1.920	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:3:2:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]N)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<3>,2|O<2>,5|H<1>}	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	115.4080	2.024	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	115.4080	2.024	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:3:4:2:	C[5,5,6]-4:C[6]-4:N[5]-2:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br)	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])(Br){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[6]N[5]Br)(C[5,5]C[5]2)(C[6]C[6]HH)(N[5]C[5]){1|Br<1>,3|C<4>,4|H<1>}	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	112.8075	0.049	2	112.8075	0.002	2	112.8075	0.002	2	113.8590	3.318	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H)	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	113.8590	3.318	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	113.4575	0.076	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	113.4575	0.076	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	116.3775	0.503	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	116.3775	0.503	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|O<2>,2|C<4>,7|H<1>}	115.2775	0.614	4	115.2775	0.377	4	115.2775	0.377	4	116.0544	0.735	9	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	116.8350	0.000	1	116.8350	0.000	1	116.6760	0.100	5	116.0544	0.735	9	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	116.6363	0.351	4	116.6363	0.123	4	116.6760	0.100	5	116.0544	0.735	9	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	114.8664	0.009	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	114.9010	0.059	4	114.9010	0.003	4	114.9010	0.003	4	114.8664	0.009	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	114.0390	1.570	2	114.0390	2.464	2	114.0390	2.464	2	114.0390	2.464	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:4:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[3x5]-4:C[6]-3:O[5]-2:	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5]2C[6])(CH3)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[3x5]C[5,5]2O)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	114.8400	0.000	1	115.4285	0.693	2	115.4285	0.693	2	115.4285	0.693	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	116.0170	0.000	1	115.4285	0.693	2	115.4285	0.693	2	115.4285	0.693	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:2:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	111.1958	0.259	4	111.1958	0.067	4	111.1958	0.067	4	111.1958	0.067	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)(C[5,5]C[5]N[5])(H){1|C<4>,1|O<1>,4|H<1>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	112.4357	0.538	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,3|H<1>}	112.0265	0.267	2	112.0265	0.071	2	112.0265	0.071	2	112.4357	0.538	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:2:2:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	3:4:4:3:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2{2|C<4>,4|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	114.6430	0.000	1	114.6430	0.000	1	113.5640	1.745	3	113.8742	1.180	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	113.0245	1.320	2	113.0245	1.743	2	113.5640	1.745	3	113.8742	1.180	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2{3|C<3>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	114.8440	0.000	1	114.8440	0.000	1	114.3395	0.509	2	113.8742	1.180	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	113.8350	0.000	1	113.8350	0.000	1	114.3395	0.509	2	113.8742	1.180	5	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	116.0965	0.149	2	116.0965	0.022	2	116.0965	0.022	2	116.0965	0.022	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,6|H<1>}	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	113.2985	4.162	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:3:4:4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2{2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	113.2985	4.162	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:4:2:2:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2{2|C<3>,7|H<1>}	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:1:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,5|H<1>}	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:2:1:	3:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	113.3607	0.550	3	113.3607	0.303	3	113.3607	0.303	3	113.3607	0.303	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:4:1:	4:3:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:3:4:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	111.6265	0.155	2	111.6265	0.024	2	111.6265	0.024	2	111.6265	0.024	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	117.6780	0.000	1	117.6780	0.000	1	117.3590	0.204	2	116.9122	0.174	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.3590	0.204	2	116.9122	0.174	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	116.6887	0.153	4	116.6887	0.023	4	116.6887	0.023	4	116.9122	0.174	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:1:	4:4:4:1:	4:2:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	109.4280	0.139	2	109.4280	0.019	2	109.4280	0.019	2	109.4280	0.019	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:2:	4:3:4:1:	4:4:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:2:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	110.3560	0.707	2	110.3560	0.500	2	110.3560	0.500	2	110.3560	0.500	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:1:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]HS)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.0190	0.000	1	107.0190	0.000	1	106.9390	0.188	3	106.9390	0.188	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:2:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	106.8990	0.605	2	106.8990	0.366	2	106.9390	0.188	3	106.9390	0.188	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:2:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.0760	0.000	1	113.7600	7.545	4	113.7600	7.545	4	113.7600	7.545	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:2:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	115.7190	1.154	2	113.7600	7.545	4	113.7600	7.545	4	113.7600	7.545	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:3:2:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>,3|C<3>}	113.5260	0.000	1	113.7600	7.545	4	113.7600	7.545	4	113.7600	7.545	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,7|H<1>}	110.0970	0.074	2	110.0970	0.005	2	110.0970	0.005	2	110.0970	0.005	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	108.1530	0.000	1	108.1530	0.000	1	108.2818	0.313	4	108.2818	0.313	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5,5,6]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	108.3247	0.677	3	108.3247	0.458	3	108.2818	0.313	4	108.2818	0.313	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[3x5]H)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.4890	0.515	2	115.4890	0.265	2	115.4890	0.265	2	115.4890	0.265	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:3:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	110.2665	0.167	4	110.2665	0.028	4	110.2665	0.028	4	110.2665	0.028	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	C[5,6](C[5,5,6]C[3,5,6]C[3x5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	109.9640	0.000	1	110.5470	0.680	2	110.5470	0.680	2	112.3127	3.028	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	111.1300	0.000	1	110.5470	0.680	2	110.5470	0.680	2	112.3127	3.028	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,8|H<1>}	112.0815	0.264	2	113.1955	1.702	4	113.1955	1.702	4	112.3127	3.028	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,8|H<1>}	114.3095	0.268	2	113.1955	1.702	4	113.1955	1.702	4	112.3127	3.028	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:2:4:4:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:3:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:3:3:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[5]C[5]CH){1|C<3>,4|C<4>,7|H<1>}	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO){1|S<4>,2|C<3>,8|H<1>}	114.7474	0.927	5	114.7474	0.859	5	114.7027	0.699	6	114.7027	0.699	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO){2|C<2>,2|C<3>,8|H<1>}	114.4790	0.000	1	114.4790	0.000	1	114.7027	0.699	6	114.7027	0.699	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	111.6127	4.737	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	110.3740	0.518	2	110.3740	0.268	2	110.3740	0.268	2	111.6127	4.737	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	110.6740	0.000	1	110.1725	0.503	2	110.1725	0.503	2	110.1725	0.503	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:2:1:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	109.6710	0.000	1	110.1725	0.503	2	110.1725	0.503	2	110.1725	0.503	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:3:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,3|C<4>,7|H<1>}	113.8397	0.392	4	113.8397	0.154	4	113.8397	0.154	4	113.8397	0.154	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.7800	0.000	1	111.9370	0.838	7	111.9370	0.838	7	111.9370	0.838	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.2880	0.000	1	111.9370	0.838	7	111.9370	0.838	7	111.9370	0.838	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	111.9580	0.817	2	111.9370	0.838	7	111.9370	0.838	7	111.9370	0.838	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	111.6620	0.000	1	111.9370	0.838	7	111.9370	0.838	7	111.9370	0.838	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:3:4:2:	3:4:3:1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.4565	0.054	2	111.9370	0.838	7	111.9370	0.838	7	111.9370	0.838	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	113.2760	0.000	1	113.2760	0.000	1	114.4630	2.818	2	113.4731	1.269	18	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	115.6500	0.000	1	115.6500	0.000	1	114.4630	2.818	2	113.4731	1.269	18	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{10|H<1>,1|C<4>,4|C<3>}	113.2595	1.686	2	113.3493	1.104	16	113.3493	1.104	16	113.4731	1.269	18	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	113.3621	1.026	14	113.3493	1.104	16	113.3493	1.104	16	113.4731	1.269	18	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:4:2:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[6,6]-3:O[5]-2:	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])	C[5,6](C[5,5,6]C[3x5,6]C[6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6,6]C[6,6]C[6])(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,7|C<4>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	110.9230	3.328	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.9230	3.328	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]H){4|H<1>,5|C<4>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,3|H<1>,5|C<4>}	110.5753	0.159	3	110.5753	0.025	3	110.5753	0.025	3	112.4913	3.392	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH){1|O<2>,2|C<4>,6|H<1>}	113.4850	0.226	2	113.4850	0.051	2	113.4850	0.051	2	112.4913	3.392	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]H)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	114.3715	0.436	2	114.3715	0.190	2	114.3715	0.190	2	112.4913	3.392	7	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:Br-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6,6]BrH)(H){5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H){4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	115.4020	3.917	8	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	114.7750	0.000	1	114.7750	0.000	1	113.3685	3.956	2	115.4020	3.917	8	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	111.9620	0.000	1	111.9620	0.000	1	113.3685	3.956	2	115.4020	3.917	8	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,2|O<1>,6|H<1>}	114.3080	0.000	1	114.3080	0.000	1	114.3080	0.000	1	115.4020	3.917	8	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	117.0812	0.312	4	117.0812	0.097	4	117.0812	0.097	4	115.4020	3.917	8	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	114.7550	0.000	2	114.7550	0.000	2	114.7550	0.000	2	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	113.0770	0.000	1	110.4070	14.258	2	110.4070	14.258	2	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	107.7370	0.000	1	110.4070	14.258	2	110.4070	14.258	2	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5,5]O[5,6]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	109.7024	0.648	5	109.7024	0.420	5	109.7459	0.494	7	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]O[5,6]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	109.8545	1.119	2	109.8545	1.253	2	109.7459	0.494	7	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	113.1520	0.000	1	110.1500	18.024	2	110.1500	18.024	2	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	107.1480	0.000	1	110.1500	18.024	2	110.1500	18.024	2	110.6797	5.791	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,9|H<1>}	115.3280	0.000	1	114.7205	0.738	2	114.7205	0.738	2	115.3698	0.577	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,8|H<1>}	114.1130	0.000	1	114.7205	0.738	2	114.7205	0.738	2	115.3698	0.577	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]O){10|H<1>,1|Si<4>,1|C<2>,1|C<4>}	115.6945	0.542	4	115.6945	0.294	4	115.6945	0.294	4	115.3698	0.577	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|F<1>,2|O<2>,3|H<1>,4|C<4>}	111.7900	0.000	1	112.6980	0.935	6	113.1144	1.993	7	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.8315	0.419	2	112.6980	0.935	6	113.1144	1.993	7	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){10|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	112.6690	0.000	1	112.6980	0.935	6	113.1144	1.993	7	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	112.0330	0.470	2	112.6980	0.935	6	113.1144	1.993	7	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,5,6]HS)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	115.6130	0.000	1	115.6130	0.000	1	113.1144	1.993	7	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]2C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6]HO)(C[5]C[5]HO){1|C<3>,4|C<4>,4|H<1>}	112.2480	0.000	1	112.2480	0.000	1	112.2480	0.000	1	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	114.3080	0.000	1	113.8690	0.270	4	113.8690	0.270	4	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	113.7227	0.526	3	113.8690	0.270	4	113.8690	0.270	4	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[5]N[5]CH){2|C<4>,7|H<1>}	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,2|N<2>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.2687	1.250	14	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:3:2:	4:4:2:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5,5]C[5]2C)(H){1|C<3>,2|C<4>,8|H<1>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:2:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	113.7510	0.000	1	113.7510	0.000	1	115.7075	7.656	2	115.7075	7.656	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[5]C[5]HH){2|O<1>,3|C<4>,4|H<1>}	117.6640	0.000	1	117.6640	0.000	1	115.7075	7.656	2	115.7075	7.656	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|C<4>,9|H<1>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:2:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]HH)(SC[6a]){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	110.9120	0.062	2	110.9120	0.004	2	110.9120	0.004	2	110.9120	0.004	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,2|C<4>,6|H<1>}	112.0590	0.000	1	112.2625	0.083	2	112.2625	0.083	2	112.2625	0.083	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CO)(C[5,6]C[5]C[6]O)(C[5,5]C[5]2H)(H){1|O<1>,3|C<4>,5|H<1>}	112.4660	0.000	1	112.2625	0.083	2	112.2625	0.083	2	112.2625	0.083	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:3:1:1:	3:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:2:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH){3|C<4>,7|H<1>}	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(COO){1|C<2>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)2(H){1|O<1>,2|C<4>,7|H<1>}	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,8|H<1>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	3:4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[5]O[5]O){3|H<1>,7|C<4>}	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	111.7130	0.666	2	112.2572	0.798	4	112.2572	0.798	4	112.2572	0.798	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	112.8015	0.875	2	112.2572	0.798	4	112.2572	0.798	4	112.2572	0.798	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]C)(C[5,5]O[5]2H)(H){1|O<2>,3|C<4>,8|H<1>}	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(O[5]C[5]){1|C<4>,1|S<1>,2|O<2>,6|H<1>}	109.0180	0.000	1	109.0180	0.000	1	108.3707	0.367	3	108.3707	0.367	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	108.0470	0.325	2	108.0470	0.106	2	108.3707	0.367	3	108.3707	0.367	3	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){4|C<4>,6|H<1>}	107.9253	0.260	3	107.9253	0.068	3	107.9253	0.068	3	109.3868	3.873	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,1|C<4>,2|C<3>}	110.1175	1.791	2	110.8483	3.206	3	110.8483	3.206	3	109.3868	3.873	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]2)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){12|H<1>,4|C<4>}	112.3100	0.000	1	110.8483	3.206	3	110.8483	3.206	3	109.3868	3.873	6	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5,6]C[5,6]C)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	107.0840	0.153	2	107.0840	0.023	2	107.0840	0.023	2	107.0840	0.023	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	112.9160	0.000	1	112.4335	1.482	4	112.4335	1.482	4	112.4335	1.482	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]HH){2|O<2>,4|C<4>,8|H<1>}	112.2727	1.438	3	112.4335	1.482	4	112.4335	1.482	4	112.4335	1.482	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	3:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H)	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH){1|C<3>,5|C<4>,8|H<1>}	110.8935	0.460	2	110.8935	0.212	2	110.8935	0.212	2	110.8935	0.212	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:2:2:2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6])	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,5,6]C[5]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6]){1|O<2>,4|H<1>,5|C<4>}	108.7355	0.011	2	108.7355	0.000	2	108.7355	0.000	2	108.7355	0.000	2	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	111.1070	0.891	4	111.1070	0.794	4	111.1070	0.794	4	111.1070	0.794	4	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:4:2:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:O-2:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	112.5232	6.231	324	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:2:4:4:	4:4:4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2{1|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:3:4:4:	4:4:4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:3:4:4:	4:4:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:1:1:	3:4:4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:2:1:	4:3:4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6,6](C[5,5,6]N[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	113.3655	0.117	2	113.3655	0.014	2	113.3655	0.014	2	113.3655	0.014	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:2:2:	4:4:4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]O){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:2:	3:4:4:1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:4:	4:4:3:1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:4:	4:4:3:2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:4:	4:4:4:3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	118.7025	0.630	2	118.7025	0.397	2	118.7025	0.397	2	118.7025	0.397	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,4x6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[6,6])(C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	118.4083	0.497	3	118.4083	0.247	3	118.4083	0.247	3	118.4070	0.165	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.4070	0.165	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:2:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:2:	4:4:1:1:	4:2:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	112.9920	0.096	2	112.9920	0.009	2	113.3520	0.393	3	113.3520	0.393	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:2:4:2:	4:4:1:1:	4:2:4:4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	114.0720	0.000	1	114.0720	0.000	1	113.3520	0.393	3	113.3520	0.393	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:2:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,3|C<3>,6|C<4>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:2:1:	4:4:3:1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	111.3155	2.063	2	111.3155	4.254	2	111.3155	4.254	2	111.3155	4.254	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:3:4:2:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	110.2180	9.522	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	108.7750	0.000	2	108.6767	0.029	3	108.6767	0.029	3	110.2180	9.522	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	108.4800	0.000	1	108.6767	0.029	3	108.6767	0.029	3	110.2180	9.522	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	113.1085	0.036	2	113.1085	0.001	2	113.1085	0.001	2	113.4777	0.410	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	113.4777	0.410	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	108.2135	1.433	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.2135	1.433	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:3:4:1:	4:4:3:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	114.8960	0.000	1	114.8960	0.000	1	114.8960	0.000	1	114.8960	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	116.3990	0.000	1	116.3990	0.000	1	116.9655	0.642	2	116.9655	0.642	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	117.5320	0.000	1	117.5320	0.000	1	116.9655	0.642	2	116.9655	0.642	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	3:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5,6,6](C[5,6]C[6,6a]N[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	108.0950	0.000	1	107.9905	0.022	2	107.8350	0.083	3	107.8350	0.083	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	107.8860	0.000	1	107.9905	0.022	2	107.8350	0.083	3	107.8350	0.083	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	107.5240	0.000	1	107.5240	0.000	1	107.8350	0.083	3	107.8350	0.083	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	116.6040	0.000	1	116.6040	0.000	1	116.6040	0.000	1	116.2030	0.123	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	116.0540	0.000	1	116.0540	0.000	1	116.0025	0.005	2	116.2030	0.123	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	115.9510	0.000	1	115.9510	0.000	1	116.0025	0.005	2	116.2030	0.123	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.0730	0.000	1	113.2070	0.036	2	113.2070	0.036	2	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	113.3410	0.000	1	113.2070	0.036	2	113.2070	0.036	2	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]H)(H){10|H<1>,1|C<3>,3|C<4>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	114.5290	0.000	1	114.5290	0.000	1	115.7780	1.206	3	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	116.5930	0.000	1	116.5930	0.000	1	115.7780	1.206	3	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	116.2120	0.000	1	116.2120	0.000	1	115.7780	1.206	3	113.2664	6.923	9	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.3995	0.310	2	111.3995	0.096	2	111.3995	0.096	2	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	119.6090	0.000	1	117.5545	8.442	2	117.5545	8.442	2	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	115.5000	0.000	1	117.5545	8.442	2	117.5545	8.442	2	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,4|C<4>,7|H<1>}	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	114.8876	8.771	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	108.9330	2.426	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	108.9330	2.426	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	108.5140	0.089	2	108.5140	0.008	2	108.5140	0.008	2	108.9330	2.426	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,4|C<4>,6|H<1>}	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,6|H<1>,7|C<4>}	113.9215	0.551	2	113.1975	0.520	12	113.1975	0.520	12	113.1975	0.520	12	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:1:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){7|C<4>,8|H<1>}	113.0527	0.680	10	113.1975	0.520	12	113.1975	0.520	12	113.1975	0.520	12	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:3:2:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){2|C<4>,3|C<3>,4|O<2>,6|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:3:2:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	111.2035	2.234	2	111.2035	4.990	2	111.2035	4.990	2	111.2035	4.990	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:1:1:	4:4:2:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	110.6630	0.496	2	110.6630	0.246	2	110.6630	0.246	2	110.6630	0.246	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|H<1>,7|C<4>}	112.1882	0.257	4	112.1882	0.066	4	112.1882	0.066	4	112.1882	0.066	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	114.0902	1.999	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	114.0902	1.999	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,5|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	113.1915	0.286	4	113.1915	0.082	4	113.1915	0.082	4	114.0902	1.999	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:2:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]O)(H){1|C<3>,4|C<4>,4|O<2>,6|H<1>}	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:3:	4:2:4:1:	4:2:2:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:3:	4:2:4:2:	4:2:2:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:3:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	112.8820	0.313	2	112.8820	0.098	2	112.8820	0.098	2	112.8820	0.098	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:2:4:1:	4:2:2:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	108.6110	0.000	1	108.6110	0.000	1	110.3027	2.839	3	110.3027	2.839	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:2:4:1:	4:2:2:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	111.1485	1.177	2	111.1485	1.386	2	110.3027	2.839	3	110.3027	2.839	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[5,6,6]HH)(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]HO)(H){2|H<1>,4|C<4>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H)	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)(H){1|O<1>,2|O<2>,5|H<1>,6|C<4>}	113.6290	1.297	4	113.6290	1.683	4	113.6290	1.683	4	113.6290	1.683	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:2:4:	4:4:4:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	110.8210	0.310	2	110.8210	0.096	2	110.8210	0.096	2	110.8210	0.096	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:3:1:1:	3:4:4:3:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:3:2:1:	3:4:3:2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	110.7020	0.965	3	110.7020	0.931	3	110.7020	0.931	3	110.7020	0.931	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:3:4:3:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	3:4:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	3:4:4:3:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	113.1720	0.120	2	113.1720	0.014	2	113.1720	0.014	2	113.1720	0.014	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:3:3:3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	108.3175	0.493	2	108.3175	0.243	2	108.3175	0.243	2	108.3175	0.243	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,6|H<1>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	113.2404	0.223	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	113.8960	0.000	1	113.3920	0.144	4	113.3920	0.144	4	113.2404	0.223	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	113.2240	0.216	3	113.3920	0.144	4	113.3920	0.144	4	113.2404	0.223	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]B[5]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	116.9306	0.284	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH){1|N<3>,4|H<1>,5|C<4>}	117.1598	0.168	4	117.1598	0.028	4	117.1598	0.028	4	116.9306	0.284	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	110.3030	0.000	1	110.7290	0.363	2	110.7290	0.363	2	110.7290	0.363	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	111.1550	0.000	1	110.7290	0.363	2	110.7290	0.363	2	110.7290	0.363	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:3:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	118.9585	0.103	2	118.9585	0.011	2	118.9585	0.011	2	118.9585	0.011	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:3:1:	4:3:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	121.0585	0.197	2	121.0585	0.039	2	121.0585	0.039	2	121.0585	0.039	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:4:2:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	110.4705	0.704	2	110.4705	0.495	2	110.4705	0.495	2	110.4705	0.495	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[6]C[6]CC)(C[5]O[5]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	117.1843	0.322	6	117.1843	0.104	6	117.1843	0.104	6	117.1843	0.104	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:2:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	113.1615	0.012	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:2:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	113.1615	0.012	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:2:	4:3:2:1:	4:3:3:3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:2:	4:4:2:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:3:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:3:	4:4:4:3:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	3:4:2:2:	4:3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	112.7130	0.025	2	112.7130	0.001	2	112.7130	0.001	2	112.7130	0.001	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:3:1:1:	4:4:3:2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	113.8940	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:3:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){2|O<2>,3|C<4>,7|H<1>}	106.5570	0.253	2	106.5570	0.064	2	106.5570	0.064	2	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[3,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	114.0223	0.515	3	114.0223	0.266	3	114.0223	0.266	3	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	114.1070	0.000	1	112.7682	8.910	6	113.3387	4.487	12	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	113.8900	1.122	4	112.7682	8.910	6	113.3387	4.487	12	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	106.9420	0.000	1	112.7682	8.910	6	113.3387	4.487	12	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	114.3260	0.144	2	114.3260	0.021	2	113.3387	4.487	12	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	113.7007	0.346	4	113.7007	0.119	4	113.3387	4.487	12	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH)	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6]N[5]C)(C[5,6]N[5,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	113.3670	0.000	2	113.3670	0.000	2	113.3670	0.000	2	112.6908	7.221	20	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	114.6035	1.334	2	114.6035	1.780	2	114.6035	1.780	2	114.6035	1.780	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:3:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	116.4645	16.745	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5,6]C)(C[6,6]C[5a,6]C[6]H)(C[5,6]N[5,6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	116.4645	16.745	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2440	0.271	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	110.2440	0.271	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.2440	0.271	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:2:4:4:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	118.5200	0.000	2	118.5200	0.000	2	118.5200	0.000	2	118.5200	0.000	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	3:4:4:3:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:2:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:3:4:3:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3680	0.043	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(H){5|C<3>,6|H<1>}	112.3740	0.291	2	112.3740	0.085	2	112.3740	0.085	2	112.3680	0.043	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5a,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[6]H)2(H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	108.7250	1.290	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	108.7250	1.290	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	114.6515	0.153	4	114.6515	0.023	4	114.6515	0.023	4	114.3650	0.888	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	114.3650	0.888	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){2|C<3>,5|C<4>,6|H<1>}	115.0930	0.000	1	115.0930	0.000	1	115.0930	0.000	1	114.3650	0.888	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:2:1:	4:4:4:2:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:3:1:	4:4:4:3:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:4:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	112.7590	0.145	4	112.7590	0.021	4	112.7590	0.021	4	112.5388	0.258	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	112.5388	0.258	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:2:3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.9470	2.192	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:2:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	111.9470	2.192	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:3:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	114.7510	0.000	1	114.7510	0.000	1	114.7510	0.000	1	114.7510	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	114.0183	4.984	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	114.0183	4.984	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	114.0183	4.984	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)2(C[6]C[6]HH){1|O<2>,2|O<1>,3|C<4>,8|H<1>}	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:2:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	114.1063	1.573	3	114.1063	2.476	3	114.1063	2.476	3	114.1063	2.476	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,7|H<1>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	113.5083	1.908	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	113.5083	1.908	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	114.1450	0.000	1	114.1450	0.000	1	114.4460	0.181	2	113.5083	1.908	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)2{1|O<1>,1|O<2>,2|C<4>,9|H<1>}	114.7470	0.000	1	114.7470	0.000	1	114.4460	0.181	2	113.5083	1.908	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	C[5,6](C[5,6,6]C[3x6]N[5,6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	115.1370	0.755	2	115.1370	0.570	2	115.1370	0.570	2	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	112.6000	0.000	1	112.6000	0.000	1	112.6962	0.064	5	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	112.7202	0.287	4	112.7202	0.082	4	112.6962	0.064	5	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.9306	1.814	10	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	111.3425	0.540	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	111.3425	0.540	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	C[5,6,6](C[5,6]C[5,6]C[6]H)2(C[6,6]C[5,6]C[6]H)(H){1|F<1>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(H){2|Br<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]BrH)(H){5|C<4>,6|H<1>}	113.7140	0.000	1	113.7140	0.000	1	113.7140	0.000	1	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:I-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I)	C[5,6](C[5,6,6]C[5,6,6]C[6]I)(C[5,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(I){4|C<4>,6|H<1>}	112.7029	0.564	16	112.7029	0.318	16	112.7029	0.318	16	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	110.9423	0.504	4	110.9423	0.254	4	110.9423	0.254	4	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	110.8810	0.000	1	110.8762	0.118	4	110.0767	5.718	7	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	110.4170	0.000	1	110.8762	0.118	4	110.0767	5.718	7	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	111.1035	0.196	2	110.8762	0.118	4	110.0767	5.718	7	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	106.8510	0.076	2	106.8510	0.006	2	110.0767	5.718	7	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2C)(H){1|O<1>,3|C<4>,7|H<1>}	113.3300	0.000	1	113.3300	0.000	1	110.0767	5.718	7	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	111.6751	3.239	30	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]CC)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	114.4865	0.144	2	114.4865	0.021	2	114.4865	0.021	2	113.5097	1.280	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	112.4980	0.000	1	112.4980	0.000	1	112.4980	0.000	1	113.5097	1.280	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	113.5097	1.280	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	113.8185	1.477	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	113.8185	1.477	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH){1|O<1>,3|C<4>,8|H<1>}	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,9|H<1>}	115.0825	0.044	4	115.0825	0.002	4	114.3772	1.197	6	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]O[5]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]HH){1|C<3>,6|C<4>,7|H<1>}	112.9665	0.094	2	112.9665	0.009	2	114.3772	1.197	6	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	115.4185	0.207	2	115.4185	0.043	2	114.5247	1.090	4	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	113.6310	0.180	2	113.6310	0.032	2	114.5247	1.090	4	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	112.6405	0.153	2	112.6405	0.024	2	113.3360	1.463	3	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	114.7270	0.000	1	114.7270	0.000	1	113.3360	1.463	3	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	116.5265	0.272	2	116.5265	0.074	2	116.5265	0.074	2	114.3628	1.921	16	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]CH)(C[5]O[5]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	116.1660	0.000	1	116.1660	0.000	1	116.1660	0.000	1	116.1660	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	111.8275	0.537	2	111.8275	0.288	2	111.8275	0.288	2	111.8275	0.288	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	3:4:3:4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	115.4510	0.270	2	115.4510	0.073	2	115.4510	0.073	2	115.4510	0.073	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:3:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	113.2330	1.089	2	113.2330	1.186	2	113.2330	1.186	2	113.2330	1.186	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	111.4615	0.869	2	111.4615	0.755	2	111.4615	0.755	2	111.4615	0.755	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,7|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.7790	0.262	2	114.7790	0.068	2	114.7790	0.068	2	114.7790	0.068	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	115.8750	0.000	1	115.8750	0.000	1	115.0285	1.433	2	115.0285	1.433	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.1820	0.000	1	114.1820	0.000	1	115.0285	1.433	2	115.0285	1.433	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)(C[6]C[6]CH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.4485	0.196	2	116.4485	0.038	2	116.4485	0.038	2	116.6462	0.156	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	116.4000	0.256	2	116.4000	0.066	2	116.7450	0.209	4	116.6462	0.156	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]HO)(C[6]C[6]CC)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	117.0900	0.291	2	117.0900	0.085	2	116.7450	0.209	4	116.6462	0.156	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	112.9767	3.573	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:3:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O)2(C[6]C[6]HH)2{10|H<1>,2|C<3>}	113.3440	2.133	3	113.3440	4.551	3	113.3440	4.551	3	112.9767	3.573	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:3:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]O)(C[6,6]C[6]2C)(H){1|O<2>,3|C<3>,6|H<1>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:3:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[5,6,6]C[5,6]2)(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[4x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(H){1|C<3>,3|C<4>,7|H<1>}	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	112.3090	0.532	2	112.3090	0.283	2	112.3090	0.283	2	112.3090	0.283	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:1:	4:2:4:3:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:3:	4:3:2:1:	3:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(COO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:3:	4:4:1:1:	4:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	111.2865	0.267	2	111.2865	0.071	2	111.2865	0.071	2	111.2865	0.071	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:2:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){10|H<1>,1|C<3>,1|C<4>}	112.1015	0.093	2	112.1015	0.009	2	112.1015	0.009	2	112.1057	0.004	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]2H)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]2)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){11|H<1>,1|C<3>,3|C<4>}	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.1057	0.004	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[3x5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3){1|B<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	105.4480	0.000	1	105.4480	0.000	1	105.4480	0.000	1	106.9133	1.434	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.9133	1.434	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	107.8315	0.576	2	107.8315	0.332	2	107.8315	0.332	2	106.9133	1.434	4	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:3:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	107.2950	0.000	1	107.1250	0.105	3	107.1250	0.105	3	107.1250	0.105	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:3:4:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	107.0400	0.409	2	107.1250	0.105	3	107.1250	0.105	3	107.1250	0.105	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:2:4:3:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[3]O[3]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	110.4330	0.000	1	110.4330	0.000	1	109.2685	2.712	2	109.6858	0.745	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:2:4:3:	C[5,6,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[3]C[6a]C[3]O[3])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	108.1040	0.000	1	108.1040	0.000	1	109.2685	2.712	2	109.6858	0.745	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:2:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	109.8945	0.405	4	109.8945	0.164	4	109.8945	0.164	4	109.6858	0.745	6	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	110.8980	0.544	2	110.8980	0.296	2	110.8980	0.296	2	110.8980	0.296	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|O<2>,3|C<4>,8|H<1>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3x6]N[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|S<4>,3|C<4>,9|H<1>}	113.5310	0.985	3	113.5310	0.971	3	113.5310	0.971	3	113.5310	0.971	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|O<2>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	C[5,6,6](C[3,6,6]C[3,6]2H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]O[6]HH){1|C<3>,1|C<4>,8|H<1>}	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	111.6000	6.934	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	111.6000	6.934	2	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]C)(H){1|O<2>,2|C<4>,9|H<1>}	105.3315	0.520	2	105.3315	0.270	2	106.8069	1.694	7	106.8069	1.694	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	108.3070	0.000	1	108.3070	0.000	1	106.8069	1.694	7	106.8069	1.694	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	107.8840	0.597	2	107.8840	0.356	2	106.8069	1.694	7	106.8069	1.694	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[6,6]C[6]2C)(H){3|C<4>,3|O<2>,6|H<1>}	106.4550	0.602	2	106.4550	0.363	2	106.8069	1.694	7	106.8069	1.694	7	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	104.9780	0.000	1	104.9780	0.000	1	104.9780	0.000	1	104.9780	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:3:2:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	107.8000	0.000	1	107.5987	0.030	3	107.5987	0.030	3	107.5987	0.030	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|O<2>,9|H<1>}	107.4980	0.000	2	107.5987	0.030	3	107.5987	0.030	3	107.5987	0.030	3	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	110.2580	0.000	2	110.2580	0.000	2	110.2580	0.000	2	110.2454	0.211	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|I<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HI)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	110.3250	0.000	1	110.3250	0.000	1	110.2370	0.422	3	110.2454	0.211	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	110.8380	0.000	1	110.1930	0.832	2	110.2370	0.422	3	110.2454	0.211	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,5|C<4>,7|H<1>}	109.5480	0.000	1	110.1930	0.832	2	110.2370	0.422	3	110.2454	0.211	5	112.7954	8.827	386	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:3:4:4:	4:3:1:1:	4:3:4:1:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	109.5870	0.235	2	111.0935	3.141	4	111.0935	3.141	4	111.0935	3.141	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	112.6000	0.537	2	111.0935	3.141	4	111.0935	3.141	4	111.0935	3.141	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	3:4:4:1:	3:4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	3:4:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	110.8008	1.265	6	110.8008	1.600	6	110.8008	1.600	6	110.8008	1.600	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	4:2:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:2:1:1:	4:3:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	112.2845	0.128	2	112.2845	0.016	2	112.2845	0.016	2	112.2845	0.016	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:2:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	110.8680	0.180	2	110.8680	0.032	2	110.8680	0.032	2	110.8680	0.032	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:2:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:2:3:4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:2:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.0816	0.843	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	109.8550	1.048	2	109.8550	1.098	2	109.1050	1.121	4	109.0816	0.843	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	108.2710	0.000	1	108.3550	0.014	2	109.1050	1.121	4	109.0816	0.843	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	108.4390	0.000	1	108.3550	0.014	2	109.1050	1.121	4	109.0816	0.843	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:2:1:	3:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:2:1:	4:4:3:1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:2:1:	4:4:4:1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	111.5734	0.132	5	111.5734	0.017	5	111.5734	0.017	5	111.5734	0.017	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:4:1:	4:3:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:4:1:	4:3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:4:4:	4:4:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	114.8495	0.364	2	114.8495	0.133	2	114.8495	0.133	2	114.8495	0.133	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	114.1300	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:2:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	112.7330	1.080	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	113.4680	0.000	1	113.4680	0.000	1	113.4680	0.000	1	112.7330	1.080	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	110.6915	1.129	2	110.6915	1.275	2	110.1166	0.551	10	110.1166	0.551	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	109.7343	0.381	4	109.7343	0.145	4	110.1166	0.551	10	110.1166	0.551	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	110.2115	0.810	4	110.2115	0.655	4	110.1166	0.551	10	110.1166	0.551	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:2:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:2:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	112.0620	0.123	2	112.0620	0.015	2	112.0620	0.015	2	112.0620	0.015	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	112.5900	0.000	1	112.5900	0.000	1	111.5840	2.024	2	111.5840	2.024	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	110.5780	0.000	1	110.5780	0.000	1	111.5840	2.024	2	111.5840	2.024	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:2:4:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	112.5235	5.934	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	109.2660	0.728	2	109.2660	0.530	2	109.2660	0.530	2	112.5235	5.934	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	114.7250	0.000	1	114.7250	0.000	1	114.2390	2.550	4	112.5235	5.934	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	114.0770	1.915	3	114.0770	3.668	3	114.2390	2.550	4	112.5235	5.934	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:1:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	112.5235	5.934	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.9127	0.315	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.9127	0.315	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	108.9127	0.315	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	114.8910	0.390	4	114.8910	0.152	4	114.8910	0.152	4	114.8910	0.152	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	115.1543	3.040	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	116.1610	0.000	2	116.1610	0.000	2	116.1610	0.000	2	115.1543	3.040	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	113.3300	0.000	1	113.3300	0.000	1	113.3085	0.001	2	113.3085	0.001	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	113.2870	0.000	1	113.2870	0.000	1	113.3085	0.001	2	113.3085	0.001	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	112.8880	0.000	1	112.8880	0.000	1	113.6930	0.846	4	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	113.4840	0.553	2	113.4840	0.306	2	113.6930	0.846	4	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	114.9160	0.000	1	114.9160	0.000	1	113.6930	0.846	4	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	109.7660	0.000	1	109.7660	0.000	1	110.6678	0.962	5	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	110.8932	0.972	4	110.8932	0.944	4	110.6678	0.962	5	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	113.1210	0.000	1	113.1210	0.000	1	113.4665	0.239	2	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	113.8120	0.000	1	113.8120	0.000	1	113.4665	0.239	2	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	113.7600	0.526	2	113.7600	0.277	2	113.7600	0.277	2	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	114.5270	1.325	4	113.8319	1.536	8	113.8319	1.536	8	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	113.1368	0.735	4	113.8319	1.536	8	113.8319	1.536	8	112.9500	2.500	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:3:1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	115.2004	2.047	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:3:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	115.6013	0.784	4	115.6013	0.615	4	115.5555	1.397	6	115.2004	2.047	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:2:1:	4:4:3:1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	115.4640	2.261	2	115.4640	5.114	2	115.5555	1.397	6	115.2004	2.047	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:1:	3:4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:2:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	110.2080	0.523	2	110.2080	0.274	2	110.2080	0.274	2	110.2080	0.274	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	116.0660	0.149	3	116.0660	0.022	3	116.0660	0.022	3	116.0660	0.022	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	4:4:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:2:	4:4:3:1:	4:3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	110.9635	2.343	2	110.9635	5.488	2	110.9635	5.488	2	110.9635	5.488	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:2:1:1:	3:4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2{1|N<3>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	110.9890	0.068	2	110.9890	0.005	2	110.9890	0.005	2	110.9890	0.005	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	106.2390	0.000	1	106.2390	0.000	1	106.7970	0.623	2	106.7970	0.623	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	107.3550	0.000	1	107.3550	0.000	1	106.7970	0.623	2	106.7970	0.623	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:2:2:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2{1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:3:1:	4:4:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:4:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO){1|S<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.2375	0.241	2	116.2375	0.058	2	116.2375	0.058	2	116.2375	0.058	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	4:3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:2:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:3:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	110.1925	0.568	2	110.1925	0.322	2	110.1925	0.322	2	110.1925	0.322	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:4:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	3:4:1:1:	4:4:4:2:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.2380	0.509	2	112.2380	0.259	2	112.2380	0.259	2	112.2380	0.259	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	107.6110	0.660	2	107.6110	0.436	2	107.7057	0.245	3	107.7057	0.245	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	107.8950	0.000	1	107.8950	0.000	1	107.7057	0.245	3	107.7057	0.245	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	111.3110	0.000	1	111.3110	0.000	1	109.1077	8.556	3	109.1077	8.556	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	105.7890	0.000	1	105.7890	0.000	1	109.1077	8.556	3	109.1077	8.556	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	110.2230	0.000	1	110.2230	0.000	1	109.1077	8.556	3	109.1077	8.556	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	112.0180	3.473	2	112.0180	12.064	2	112.0180	12.064	2	112.0180	12.064	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	108.9200	2.456	2	108.9200	6.034	2	108.9200	6.034	2	108.9200	6.034	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:2:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.2845	0.904	4	110.2845	0.816	4	110.2845	0.816	4	110.2845	0.816	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	110.4945	3.403	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	110.4945	3.403	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	107.1730	0.000	1	107.1730	0.000	1	107.0175	0.048	2	107.0175	0.048	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	106.8620	0.000	1	106.8620	0.000	1	107.0175	0.048	2	107.0175	0.048	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	111.0345	0.728	2	111.0345	0.529	2	111.0345	0.529	2	111.0345	0.529	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	108.6680	0.430	2	108.6680	0.185	2	108.6680	0.185	2	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	106.7090	0.000	1	106.7090	0.000	1	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	108.4680	0.000	2	108.4680	0.000	2	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	106.1470	0.000	2	106.5637	0.521	3	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	107.3970	0.000	1	106.5637	0.521	3	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	105.9190	0.000	1	106.8896	0.314	5	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	107.1322	0.162	4	106.8896	0.314	5	107.0713	0.727	11	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	114.9890	0.000	1	114.9890	0.000	1	110.2433	17.376	3	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	107.8705	0.985	2	107.8705	0.970	2	110.2433	17.376	3	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	106.9010	0.000	1	106.9010	0.000	1	106.8340	0.009	2	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	106.7670	0.000	1	106.7670	0.000	1	106.8340	0.009	2	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	110.8640	0.000	1	110.8640	0.000	1	108.5047	4.194	3	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	107.1880	0.000	1	107.3250	0.038	2	108.5047	4.194	3	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	107.4620	0.000	1	107.3250	0.038	2	108.5047	4.194	3	107.8587	3.957	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.6595	0.357	2	112.6595	0.128	2	112.6595	0.128	2	112.6595	0.128	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.8930	0.000	1	109.9427	2.182	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.9427	2.182	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	109.9427	2.182	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	3:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:2:4:1:	3:4:4:1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	111.1450	0.000	1	111.1450	0.000	1	112.5790	4.113	2	112.5790	4.113	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:2:4:1:	3:4:4:1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.0130	0.000	1	114.0130	0.000	1	112.5790	4.113	2	112.5790	4.113	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:3:1:1:	3:4:4:2:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN){3|C<3>,5|H<1>}	114.0280	0.000	1	114.0280	0.000	1	114.0280	0.000	1	114.0280	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:3:1:1:	3:4:4:3:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:1:1:	3:4:3:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	114.4865	0.553	4	114.4865	0.305	4	114.4865	0.305	4	114.4865	0.305	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:1:	4:4:2:1:	4:2:4:1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	113.4755	0.849	2	113.4755	0.721	2	113.4755	0.721	2	113.4755	0.721	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:4:	4:3:2:1:	3:4:4:1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	113.3170	0.000	1	113.3170	0.000	1	113.3170	0.000	1	113.3170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	3:4:2:1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:3:1:1:	4:3:3:1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:3:1:1:	4:3:4:4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>,5|C<3>}	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:2:1:1:	3:3:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.5340	1.444	2	110.5340	2.085	2	110.5340	2.085	2	110.5340	2.085	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	3:4:4:3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO){1|S<4>,3|C<3>,5|H<1>}	112.4070	0.000	1	112.4070	0.000	1	112.9705	0.635	2	112.9705	0.635	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	3:4:4:3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	113.5340	0.000	1	113.5340	0.000	1	112.9705	0.635	2	112.9705	0.635	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	112.5600	0.154	2	112.5600	0.024	2	112.5600	0.024	2	112.5600	0.024	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:2:2:	4:3:2:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:3:2:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:1:	4:4:4:3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:3:4:4:	3:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	115.3467	0.378	3	115.3467	0.143	3	115.3467	0.143	3	115.3467	0.143	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:3:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	115.4240	0.000	1	115.4240	0.000	1	115.4240	0.000	1	115.4240	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	112.2475	2.124	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	112.2475	2.124	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:3:2:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	114.1717	2.264	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	114.1717	2.264	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	113.5910	0.000	1	113.5910	0.000	1	113.5496	0.387	8	114.1717	2.264	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	113.9210	0.550	3	113.9210	0.302	3	113.5496	0.387	8	114.1717	2.264	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	113.2608	0.673	4	113.2608	0.452	4	113.5496	0.387	8	114.1717	2.264	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:2:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	110.0818	5.162	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	110.5715	1.016	2	110.5715	1.032	2	109.2835	2.635	4	110.0818	5.162	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	107.9955	0.486	2	107.9955	0.236	2	109.2835	2.635	4	110.0818	5.162	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.3050	0.345	2	110.3050	0.119	2	110.3050	0.119	2	110.3050	0.119	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	114.5800	0.000	1	114.5800	0.000	1	114.5800	0.000	1	113.6430	1.756	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	113.6430	1.756	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.1965	0.146	2	109.1965	0.021	2	109.1965	0.021	2	112.0860	7.041	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	114.0123	0.394	3	114.0123	0.155	3	114.0123	0.155	3	112.0860	7.041	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	115.4730	0.000	1	115.4730	0.000	1	115.9330	0.423	2	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	116.3930	0.000	1	116.3930	0.000	1	115.9330	0.423	2	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	112.3670	0.000	1	112.3670	0.000	1	114.9343	5.179	3	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.2180	0.686	2	116.2180	0.470	2	114.9343	5.179	3	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	113.2227	1.645	3	113.2227	2.707	3	113.2227	2.707	3	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	115.5030	1.131	2	115.5030	1.280	2	115.5030	1.280	2	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.2010	0.000	1	115.2010	0.000	1	115.1665	0.002	2	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.1320	0.000	1	115.1320	0.000	1	115.1665	0.002	2	114.5932	2.992	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	115.5180	0.000	1	115.5180	0.000	1	115.5180	0.000	1	115.5180	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:2:1:	3:4:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:3:1:	3:4:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:3:3:	3:4:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	114.9420	0.000	1	114.6480	0.173	2	114.6480	0.173	2	114.6480	0.173	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:3:3:	3:4:4:4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	114.3540	0.000	1	114.6480	0.173	2	114.6480	0.173	2	114.6480	0.173	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.9300	0.027	2	114.9300	0.001	2	114.9300	0.001	2	114.9300	0.001	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.9845	0.264	2	114.9845	0.070	2	114.9845	0.070	2	114.9845	0.070	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	119.9390	0.000	1	119.5885	0.080	4	119.5885	0.080	4	119.5885	0.080	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	119.4717	0.194	3	119.5885	0.080	4	119.5885	0.080	4	119.5885	0.080	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:3:1:1:	4:4:2:4:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	112.1565	0.039	2	112.1565	0.002	2	112.1565	0.002	2	112.1565	0.002	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-3:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.2420	1.908	3	114.2420	3.640	3	114.2420	3.640	3	114.2420	3.640	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:2:2:1:	4:3:4:1:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[6a]N[5])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:2:3:1:	4:4:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	106.8485	0.530	2	106.8485	0.281	2	106.8485	0.281	2	106.8485	0.281	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	105.0170	0.000	1	105.0170	0.000	1	106.5215	4.527	2	106.5215	4.527	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	108.0260	0.000	1	108.0260	0.000	1	106.5215	4.527	2	106.5215	4.527	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	3:4:4:3:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	112.0070	0.000	1	112.0643	0.015	3	112.0643	0.015	3	111.7718	0.259	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	112.0930	0.157	2	112.0643	0.015	3	112.0643	0.015	3	111.7718	0.259	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	111.3330	0.604	2	111.3330	0.365	2	111.3330	0.365	2	111.7718	0.259	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S){1|O<2>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:3:1:	4:3:3:2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:3:1:	4:3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	110.2220	0.000	1	110.6170	0.123	3	110.6170	0.123	3	110.6170	0.123	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:3:1:	4:3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	110.8145	0.107	2	110.6170	0.123	3	110.6170	0.123	3	110.6170	0.123	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:2:1:1:	4:3:3:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	114.7625	1.146	2	114.7625	1.314	2	114.7625	1.314	2	114.7625	1.314	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	108.2935	0.364	2	108.2935	0.133	2	108.2935	0.133	2	108.2935	0.133	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:3:2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	106.8640	0.000	1	106.8640	0.000	1	106.8640	0.000	1	106.8640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	106.5440	0.356	2	106.1587	0.509	3	106.3664	0.484	5	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|Cl<1>,1|O<1>,3|C<4>,7|H<1>}	105.3880	0.000	1	106.1587	0.509	3	106.3664	0.484	5	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<1>,3|C<4>,6|H<1>}	106.6780	0.772	2	106.6780	0.596	2	106.3664	0.484	5	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	109.4050	0.000	1	109.4050	0.000	1	107.3820	1.457	8	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	109.1840	0.000	1	109.1840	0.000	1	107.3820	1.457	8	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	106.7668	0.308	4	106.7668	0.095	4	107.3820	1.457	8	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	106.7000	0.362	2	106.7000	0.131	2	107.3820	1.457	8	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	107.4933	2.419	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	111.5713	0.170	3	111.5713	0.029	3	111.5713	0.029	3	110.9070	0.690	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.5330	0.486	2	110.5330	0.237	2	110.2427	0.371	3	110.9070	0.690	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.6620	0.000	1	109.6620	0.000	1	110.2427	0.371	3	110.9070	0.690	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	110.5210	0.000	1	110.5210	0.000	1	119.8935	175.688	2	119.8935	175.688	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	129.2660	0.000	1	129.2660	0.000	1	119.8935	175.688	2	119.8935	175.688	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	114.6300	0.321	2	114.6300	0.103	2	114.2833	0.412	3	114.2833	0.412	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	113.5900	0.000	1	113.5900	0.000	1	114.2833	0.412	3	114.2833	0.412	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:4:1:	3:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	113.5667	0.321	4	113.5667	0.103	4	113.5667	0.103	4	113.5667	0.103	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:4:1:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	109.3220	0.140	2	109.3220	0.020	2	109.3220	0.020	2	109.3220	0.020	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	115.2693	0.671	3	115.2693	0.450	3	115.3621	0.235	11	115.3621	0.235	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	115.3969	0.449	8	115.3969	0.201	8	115.3621	0.235	11	115.3621	0.235	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.8125	0.552	2	113.8125	0.305	2	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	113.3778	0.385	6	113.2589	0.326	12	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	112.2690	0.000	1	113.2589	0.326	12	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	112.3500	0.000	1	113.2589	0.326	12	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	113.7970	0.000	1	113.2589	0.326	12	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	113.4747	0.510	3	113.2589	0.326	12	113.3380	0.339	14	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|B<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.2020	0.000	1	112.2020	0.000	1	112.0972	0.370	5	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	112.0710	0.699	4	112.0710	0.489	4	112.0972	0.370	5	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	113.8810	0.270	2	113.8810	0.073	2	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.9550	0.000	1	113.9550	0.000	1	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	112.7330	0.000	1	111.6017	1.064	3	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	111.0360	0.455	2	111.6017	1.064	3	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.1680	0.000	1	113.1680	0.000	1	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	113.4720	0.248	3	112.4333	4.208	6	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	108.2920	0.000	1	112.4333	4.208	6	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	112.9150	0.000	1	112.4333	4.208	6	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	112.9770	0.000	1	112.4333	4.208	6	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	109.7500	0.075	2	110.5364	0.641	5	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	111.0607	0.499	3	110.5364	0.641	5	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	111.3710	0.000	1	111.3710	0.000	1	112.0181	2.821	19	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.9245	0.275	2	111.9245	0.076	2	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.7725	0.754	2	113.7725	0.569	2	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	112.9690	0.000	1	113.0120	0.004	2	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.0550	0.000	1	113.0120	0.004	2	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	115.1060	0.000	1	115.5978	0.470	4	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	115.7617	0.737	3	115.5978	0.470	4	113.9809	2.549	10	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	111.5450	0.141	2	111.5450	0.020	2	111.5450	0.020	2	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	120.4900	0.057	2	120.4900	0.003	2	120.4900	0.003	2	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.1595	0.595	2	110.1595	0.354	2	110.1595	0.354	2	113.0072	4.687	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	115.1792	0.917	5	115.1792	0.840	5	115.1792	0.840	5	115.4258	3.284	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	111.2550	0.000	1	111.2550	0.000	1	115.2407	11.923	3	115.4258	3.284	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	117.2335	0.134	2	117.2335	0.018	2	115.2407	11.923	3	115.4258	3.284	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	116.7350	0.000	1	116.3200	0.344	2	116.3200	0.344	2	115.4258	3.284	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	115.9050	0.000	1	116.3200	0.344	2	116.3200	0.344	2	115.4258	3.284	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<4>,2|O<2>,4|H<1>}	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	115.0153	5.987	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	115.0153	5.987	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	115.0153	5.987	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-2:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	111.7420	0.022	4	111.7420	0.000	4	111.7420	0.000	4	111.7420	0.000	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	114.7873	0.487	7	114.7873	0.237	7	114.1091	3.883	8	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	109.3620	0.000	1	109.3620	0.000	1	114.1091	3.883	8	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	112.7605	0.520	2	112.7605	0.270	2	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.9800	0.000	1	111.9800	0.000	1	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.8277	0.656	4	111.8277	0.430	4	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	112.9280	0.000	1	111.9655	0.577	15	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.8968	0.738	14	111.9655	0.577	15	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	115.0290	0.000	1	115.0290	0.000	1	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.9620	0.358	2	111.9620	0.128	2	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	112.7540	0.000	1	112.7540	0.000	1	112.1539	0.808	26	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	113.3930	0.000	1	113.3930	0.000	1	113.4865	0.017	2	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.5800	0.000	1	113.5800	0.000	1	113.4865	0.017	2	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.8220	0.000	1	113.8220	0.000	1	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	114.2306	1.588	7	114.2306	2.523	7	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.1260	0.000	1	113.1260	0.000	1	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.9620	0.000	1	112.9620	0.000	1	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	113.7600	1.805	3	114.0690	1.920	5	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	114.5325	0.665	2	114.0690	1.920	5	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	114.4580	0.000	1	114.4580	0.000	1	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	113.8770	0.000	1	113.8770	0.000	1	114.0120	1.582	17	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	112.8805	0.289	2	112.8805	0.084	2	112.8805	0.084	2	113.0875	2.199	55	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	116.0370	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	111.8200	0.000	1	111.8780	0.007	2	111.8780	0.007	2	111.8780	0.007	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	111.9360	0.000	1	111.8780	0.007	2	111.8780	0.007	2	111.8780	0.007	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	112.3370	0.000	1	112.3370	0.000	1	112.3795	0.004	2	112.3795	0.004	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.4220	0.000	1	112.4220	0.000	1	112.3795	0.004	2	112.3795	0.004	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:2:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	114.0500	0.000	1	114.0500	0.000	1	113.8354	0.047	5	113.8354	0.047	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:2:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	113.7590	0.113	2	113.7818	0.044	4	113.8354	0.047	5	113.8354	0.047	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:2:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	113.8045	0.340	2	113.7818	0.044	4	113.8354	0.047	5	113.8354	0.047	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:2:4:2:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	115.1135	2.771	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	116.5325	0.506	2	116.5325	0.256	2	116.5325	0.256	2	115.1135	2.771	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	115.1135	2.771	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	118.2290	0.000	1	118.2290	0.000	1	118.2290	0.000	1	118.2290	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	115.1930	0.000	1	115.1250	0.009	2	115.1250	0.009	2	115.1250	0.009	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	115.0570	0.000	1	115.1250	0.009	2	115.1250	0.009	2	115.1250	0.009	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	110.4330	1.964	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6]Cu)(C[5,6]C[6]O[5]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	110.4330	1.964	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	113.8560	0.000	1	113.8560	0.000	1	113.8560	0.000	1	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.6610	0.000	1	114.6610	0.000	1	114.6610	0.000	1	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	111.6030	0.011	2	111.6030	0.000	2	111.6030	0.000	2	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	110.3730	0.000	1	110.7530	1.558	3	110.7530	1.558	3	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	110.9430	1.703	2	110.7530	1.558	3	110.7530	1.558	3	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	108.7930	0.000	1	108.7930	0.000	1	109.4375	0.831	2	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	110.0820	0.000	1	110.0820	0.000	1	109.4375	0.831	2	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	110.7160	0.000	1	110.7160	0.000	1	112.0087	2.798	3	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	113.8980	0.000	1	113.8980	0.000	1	112.0087	2.798	3	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	111.4120	0.000	1	111.4120	0.000	1	112.0087	2.798	3	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	111.5413	3.994	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	113.5115	0.370	2	113.5115	0.137	2	113.5115	0.137	2	113.5577	0.075	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H){1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	113.5577	0.075	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.9017	4.935	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	111.7430	0.000	1	111.7430	0.000	1	113.9620	9.848	2	113.9017	4.935	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	116.1810	0.000	1	116.1810	0.000	1	113.9620	9.848	2	113.9017	4.935	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	114.1080	1.953	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	114.1080	1.953	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	115.7210	0.000	1	115.7210	0.000	1	115.7210	0.000	1	114.1080	1.953	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	115.2140	0.160	2	115.2140	0.026	2	115.2140	0.026	2	114.3250	2.384	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	114.3250	2.384	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	115.7040	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.3330	0.000	1	113.3330	0.000	1	112.5845	1.121	2	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.8360	0.000	1	111.8360	0.000	1	112.5845	1.121	2	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	110.7735	0.707	4	110.7735	0.500	4	110.7735	0.500	4	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	113.9270	0.000	1	115.2268	2.188	4	115.2268	2.188	4	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	115.7050	0.000	1	115.2268	2.188	4	115.2268	2.188	4	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	115.6375	2.075	2	115.2268	2.188	4	115.2268	2.188	4	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6a]-3:S[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	116.7480	1.503	2	116.7480	2.260	2	116.7480	2.260	2	113.2264	5.516	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:2:2:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:3:1:	3:4:3:2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	112.3215	0.501	2	112.3215	0.251	2	112.3215	0.251	2	112.3215	0.251	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:3:4:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	116.3820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	116.2787	0.929	6	116.2787	0.863	6	116.3049	0.651	8	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	116.0470	0.000	1	116.0470	0.000	1	116.3049	0.651	8	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	116.7200	0.000	1	116.7200	0.000	1	116.3049	0.651	8	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	111.7200	0.000	2	111.7460	0.002	8	111.9435	0.348	13	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	111.7547	0.042	6	111.7460	0.002	8	111.9435	0.348	13	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	112.2596	0.916	5	112.2596	0.839	5	111.9435	0.348	13	113.6050	5.147	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	112.3290	0.000	1	111.9565	0.278	2	111.9565	0.278	2	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	111.5840	0.000	1	111.9565	0.278	2	111.9565	0.278	2	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	111.9975	0.112	2	111.9975	0.013	2	111.9975	0.013	2	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	117.2800	0.000	1	117.2800	0.000	1	114.7566	2.957	5	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	112.8070	0.000	1	112.8070	0.000	1	114.7566	2.957	5	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	115.5600	0.000	1	115.5600	0.000	1	114.7566	2.957	5	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	113.8850	0.000	1	113.8850	0.000	1	114.7566	2.957	5	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	114.2510	0.000	1	114.2510	0.000	1	114.7566	2.957	5	113.5212	3.661	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	113.2060	0.000	1	113.2060	0.000	1	113.4543	0.098	3	113.5144	0.066	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	113.5785	0.323	2	113.5785	0.104	2	113.4543	0.098	3	113.5144	0.066	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	113.7420	0.064	2	113.7420	0.004	2	113.5595	0.061	4	113.5144	0.066	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	113.2270	0.000	1	113.3770	0.045	2	113.5595	0.061	4	113.5144	0.066	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.5270	0.000	1	113.3770	0.045	2	113.5595	0.061	4	113.5144	0.066	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	113.6340	0.011	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:3:4:2:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	113.6340	0.011	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.3020	0.293	2	115.3020	0.086	2	115.3020	0.086	2	114.9620	0.961	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	114.7920	1.207	4	114.7920	1.457	4	114.7920	1.457	4	114.9620	0.961	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	112.7500	0.082	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.7125	0.070	2	112.7125	0.005	2	112.6682	0.042	6	112.7500	0.082	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.6460	0.259	4	112.6460	0.067	4	112.6682	0.042	6	112.7500	0.082	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	113.0350	4.355	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	111.8745	0.363	2	111.8745	0.132	2	113.0156	1.983	5	113.0350	4.355	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	113.4725	1.705	2	113.4725	2.906	2	113.0156	1.983	5	113.0350	4.355	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	114.3840	0.000	1	114.3840	0.000	1	113.0156	1.983	5	113.0350	4.355	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	115.0050	0.153	2	115.0050	0.023	2	115.0050	0.023	2	113.0350	4.355	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	115.2230	4.222	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	115.2230	4.222	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	116.4420	0.103	2	116.4420	0.011	2	116.4420	0.011	2	116.4420	0.011	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<2>,2|C<4>,3|H<1>}	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6,6]HH)(O[5]C[5,6])(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:Br-1:H-1:	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H)	C[5,6](C[5,6]C[5,3x6]BrH)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[6]O[5]H)(Br)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	111.0320	0.000	1	111.0320	0.000	1	111.0320	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	111.4130	0.000	1	111.4130	0.000	1	110.2820	0.598	4	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.0490	0.000	1	110.0490	0.000	1	110.2820	0.598	4	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	110.0040	0.000	1	110.0040	0.000	1	110.2820	0.598	4	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	109.6620	0.000	1	109.6620	0.000	1	110.2820	0.598	4	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	111.1193	1.483	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	116.1843	0.577	3	116.1843	0.333	3	116.1843	0.333	3	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	114.4155	3.180	2	114.4155	10.112	2	114.4155	10.112	2	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.3980	0.000	1	114.5745	0.401	8	114.5745	0.401	8	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	114.7426	0.452	7	114.5745	0.401	8	114.5745	0.401	8	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-2:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CN)(H){3|C<4>,6|H<1>}	110.9243	1.103	4	110.9243	1.216	4	110.9243	1.216	4	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[3,6]C[5])(C[5,6]C[6]O[5]H)(OS)(H){2|O<2>,3|C<4>,5|H<1>}	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.2380	0.000	1	113.2380	0.000	1	115.3452	1.174	6	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	115.7666	0.368	5	115.7666	0.136	5	115.3452	1.174	6	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	114.6490	0.000	1	114.6490	0.000	1	114.4440	0.084	2	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	114.2390	0.000	1	114.2390	0.000	1	114.4440	0.084	2	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.0970	0.000	1	113.0970	0.000	1	113.0970	0.000	1	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	115.3255	1.215	4	115.3255	1.477	4	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	114.0470	0.000	1	114.0470	0.000	1	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	116.4870	0.160	2	116.4870	0.026	2	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.2120	0.000	1	113.2120	0.000	1	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	114.4770	0.133	2	114.4770	0.018	2	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	113.5540	0.000	1	113.5540	0.000	1	114.9130	1.598	11	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	111.3320	1.433	3	111.3320	2.053	3	111.3320	2.053	3	113.9863	3.836	46	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	113.5665	0.081	2	113.5665	0.007	2	113.5665	0.007	2	113.2325	4.275	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	113.2325	4.275	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	111.3090	0.000	1	111.3090	0.000	1	111.7543	0.203	3	113.2325	4.275	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	112.2090	0.000	1	111.9770	0.108	2	111.7543	0.203	3	113.2325	4.275	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	111.7450	0.000	1	111.9770	0.108	2	111.7543	0.203	3	113.2325	4.275	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	114.3340	0.458	2	114.3340	0.210	2	114.3340	0.210	2	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.1720	0.000	1	113.9800	0.074	2	113.9800	0.074	2	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:Cl-1:	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(COO)(Cl){1|C<3>,1|C<4>,4|H<1>}	113.7880	0.000	1	113.9800	0.074	2	113.9800	0.074	2	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]N[5]Br)(H){1|C<3>,2|C<4>,4|H<1>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.1405	0.261	2	117.3847	0.213	3	117.3847	0.213	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.8730	0.000	1	117.3847	0.213	3	117.3847	0.213	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[6]C[6]HH)(O[5]N[5,6])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[6]O[5]H)(CCH)(H){3|C<4>,6|H<1>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]N[5,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	115.2160	0.000	1	115.2160	0.000	1	114.0647	3.211	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	114.9780	0.000	1	114.9780	0.000	1	114.0647	3.211	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	112.0000	0.000	1	112.0000	0.000	1	114.0647	3.211	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	113.6230	0.226	2	113.6230	0.051	2	113.1943	0.577	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	112.3370	0.000	1	112.3370	0.000	1	113.1943	0.577	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	115.9730	0.000	1	115.9730	0.000	1	114.5850	2.914	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	115.1030	0.000	1	115.1030	0.000	1	114.5850	2.914	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	112.6790	0.000	1	112.6790	0.000	1	114.5850	2.914	3	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H)	C[5,6](C[5,6]C[5,6]HN)(C[6]C[6]HH)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(NHS)(H){1|C<4>,4|H<1>}	111.4605	0.521	4	111.4605	0.272	4	111.4605	0.272	4	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	111.3290	0.000	1	112.9840	5.478	2	112.9840	5.478	2	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	114.6390	0.000	1	112.9840	5.478	2	112.9840	5.478	2	114.0782	4.090	31	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	113.0495	0.098	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	113.0495	0.098	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	115.8340	1.399	2	115.8340	1.956	2	115.8340	1.956	2	115.8340	1.956	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	117.0010	0.000	1	117.1558	0.053	5	117.1558	0.053	5	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	117.1945	0.246	4	117.1558	0.053	5	117.1558	0.053	5	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	116.6180	0.455	2	116.6180	0.207	2	115.7623	2.300	3	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	114.0510	0.000	1	114.0510	0.000	1	115.7623	2.300	3	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[6]O[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<4>}	113.7480	0.285	5	113.9536	0.109	10	113.9794	0.106	11	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	114.5780	0.000	1	113.9536	0.109	10	113.9794	0.106	11	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	114.0545	0.076	4	113.9536	0.109	10	113.9794	0.106	11	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.2370	0.000	1	114.2370	0.000	1	113.9794	0.106	11	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	116.8190	0.000	1	116.8190	0.000	1	116.2173	0.244	4	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	115.9310	0.000	1	116.1675	0.112	2	116.2173	0.244	4	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	116.4040	0.000	1	116.1675	0.112	2	116.2173	0.244	4	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	115.7150	0.000	1	115.7150	0.000	1	116.2173	0.244	4	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.2220	0.000	1	116.2220	0.000	1	116.2220	0.000	1	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	116.3280	0.091	2	116.3280	0.008	2	116.3280	0.008	2	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	111.2900	0.000	1	111.2900	0.000	1	113.7370	4.514	3	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	114.9605	0.213	2	114.9605	0.045	2	113.7370	4.514	3	115.0574	3.780	33	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	115.9043	2.345	3	115.9043	5.498	3	115.9043	5.498	3	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	118.8225	0.182	2	118.8225	0.033	2	118.8225	0.033	2	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.8390	0.049	2	112.8390	0.002	2	112.8390	0.002	2	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	114.6840	0.000	1	114.1540	0.366	3	114.1540	0.366	3	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	113.4950	0.000	1	114.1540	0.366	3	114.1540	0.366	3	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	114.2830	0.000	1	114.1540	0.366	3	114.1540	0.366	3	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|I<1>,1|O<1>,4|C<4>,4|H<1>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	114.6612	2.209	5	114.6612	4.880	5	114.6612	4.880	5	115.3022	5.143	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.2552	1.324	5	113.2552	1.752	5	113.2552	1.752	5	113.2552	1.752	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.6410	0.000	1	111.6410	0.000	1	112.5110	12.902	3	112.8864	6.820	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	116.4580	0.000	1	116.4580	0.000	1	112.5110	12.902	3	112.8864	6.820	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	109.4340	0.000	1	109.4340	0.000	1	112.5110	12.902	3	112.8864	6.820	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	112.9910	0.000	1	112.9910	0.000	1	113.4495	0.420	2	112.8864	6.820	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	113.9080	0.000	1	113.9080	0.000	1	113.4495	0.420	2	112.8864	6.820	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.2770	0.000	1	112.3420	8.528	2	112.9030	5.208	3	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	114.4070	0.000	1	112.3420	8.528	2	112.9030	5.208	3	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	114.0250	0.000	1	114.0250	0.000	1	112.9030	5.208	3	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	112.6617	8.333	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:2:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	113.4285	0.555	2	113.4285	0.308	2	113.4285	0.308	2	113.4285	0.308	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	111.1565	3.242	2	111.1565	10.511	2	112.5428	3.705	6	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	113.9085	0.595	2	113.9085	0.354	2	112.5428	3.705	6	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	112.5635	0.296	2	112.5635	0.088	2	112.5428	3.705	6	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	114.4690	0.000	1	114.4690	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	111.4380	0.000	1	111.4380	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	111.8090	0.000	1	111.8090	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	113.7540	0.000	1	113.7540	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	111.3095	0.357	2	111.3095	0.128	2	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	112.7160	0.000	1	112.7160	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	113.9060	0.000	1	113.9060	0.000	1	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.3355	0.086	2	113.3355	0.007	2	112.7382	1.431	10	112.6649	2.103	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	113.0208	2.028	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	114.3135	0.521	2	114.3135	0.272	2	113.3252	2.086	4	113.0208	2.028	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	111.3170	0.000	1	112.3370	2.081	2	113.3252	2.086	4	113.0208	2.028	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	113.3570	0.000	1	112.3370	2.081	2	113.3252	2.086	4	113.0208	2.028	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:3:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	114.8400	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	C[5,6](C[5,6]C[6]N[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)2(H)2{1|C<4>,2|H<1>,2|O<2>}	110.1010	1.986	2	110.1010	3.942	2	110.1010	3.942	2	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	110.7573	0.327	3	110.7573	0.107	3	110.7573	0.107	3	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	109.6460	0.406	2	109.6460	0.165	2	109.6460	0.165	2	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	112.6740	0.000	1	112.3070	0.269	2	111.5927	0.872	4	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.9400	0.000	1	112.3070	0.269	2	111.5927	0.872	4	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.4880	0.000	1	110.8785	0.305	2	111.5927	0.872	4	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.2690	0.000	1	110.8785	0.305	2	111.5927	0.872	4	110.6417	1.156	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.9820	0.000	1	115.9820	0.000	1	115.6453	0.541	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	114.5840	0.000	1	114.5840	0.000	1	115.6453	0.541	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	115.7610	0.000	1	115.7610	0.000	1	115.6453	0.541	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	116.2540	0.000	1	116.2540	0.000	1	115.6453	0.541	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	109.2530	0.000	1	109.2530	0.000	1	112.4325	4.420	17	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	111.8767	0.355	6	111.8767	0.126	6	112.4325	4.420	17	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	114.0545	0.526	6	114.0545	0.277	6	112.4325	4.420	17	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	111.6282	3.576	4	111.6282	12.789	4	112.4325	4.420	17	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	111.8500	0.000	1	111.8500	0.000	1	112.0455	2.427	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.1107	1.901	3	112.1107	3.615	3	112.0455	2.427	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	111.8610	1.734	4	111.8610	3.008	4	112.4170	2.658	7	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.1583	1.421	3	113.1583	2.018	3	112.4170	2.658	7	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.0750	0.216	2	116.0743	10.910	7	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	115.6740	3.956	5	116.0743	10.910	7	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	110.4080	1.133	3	110.4080	1.283	3	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	112.3610	0.000	1	112.3610	0.000	1	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	113.8623	3.694	8	113.8623	13.643	8	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	113.3403	1.662	7	113.3403	2.762	7	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	113.9427	1.893	3	113.9427	3.585	3	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	112.5325	0.248	2	112.5325	0.062	2	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	115.8580	0.000	1	115.8580	0.000	1	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	112.3310	0.000	1	112.3310	0.000	1	113.8020	8.478	33	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.1120	0.000	1	108.1120	0.000	1	107.9230	0.071	2	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.7340	0.000	1	107.7340	0.000	1	107.9230	0.071	2	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	114.0785	0.978	4	114.0785	0.957	4	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	115.0072	0.933	4	115.0072	0.871	4	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	114.4720	1.720	2	114.4720	2.957	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	111.5120	0.000	1	111.5120	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.4370	0.000	1	116.4370	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	115.2760	0.064	2	115.2760	0.004	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	115.8680	0.000	1	115.8680	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	112.2990	0.000	1	112.2990	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	114.4730	0.000	1	114.4730	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	111.2920	0.000	1	110.7160	0.664	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.1400	0.000	1	110.7160	0.664	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	114.1080	2.217	2	114.1080	4.917	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	112.1810	0.610	2	112.1810	0.372	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	111.7490	0.000	1	111.7490	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	114.0790	0.000	1	114.0790	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	111.6945	0.033	2	111.6945	0.001	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	111.6565	1.674	2	111.6565	2.801	2	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	113.5640	0.000	1	113.5640	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	113.8845	1.049	6	113.8845	1.101	6	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	112.8710	0.000	1	112.8710	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	113.8543	1.022	3	113.8543	1.044	3	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.1730	0.000	1	114.1730	0.000	1	113.6206	2.549	41	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	115.2560	0.000	1	115.2560	0.000	1	113.7025	2.024	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.8050	0.000	1	111.8050	0.000	1	113.7025	2.024	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	113.8710	0.000	1	113.8710	0.000	1	113.7025	2.024	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	113.8780	0.000	1	113.8780	0.000	1	113.7025	2.024	4	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	111.9250	0.000	1	111.9250	0.000	1	112.5790	0.525	3	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	113.3580	0.000	1	112.9060	0.409	2	112.5790	0.525	3	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	112.4540	0.000	1	112.9060	0.409	2	112.5790	0.525	3	113.2759	5.117	120	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	117.2760	0.000	1	117.2760	0.000	1	115.7920	4.405	2	115.7920	4.405	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	114.3080	0.000	1	114.3080	0.000	1	115.7920	4.405	2	115.7920	4.405	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	112.9980	0.000	1	112.9980	0.000	1	111.8915	0.708	6	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	111.6702	0.719	5	111.6702	0.517	5	111.8915	0.708	6	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.9880	0.673	2	112.9880	0.453	2	112.9880	0.453	2	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	110.5730	0.000	1	110.5730	0.000	1	110.8710	0.178	2	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.1690	0.000	1	111.1690	0.000	1	110.8710	0.178	2	112.2763	1.539	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:3:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:N-3:	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO)	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(NHO){1|S<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	113.9660	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	112.6270	8.012	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	112.6270	8.012	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.6005	0.590	2	114.6005	0.349	2	114.6005	0.349	2	112.6270	8.012	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.7350	0.000	1	108.7350	0.000	1	110.4923	2.317	3	112.6270	8.012	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	111.3710	0.028	2	111.3710	0.001	2	110.4923	2.317	3	112.6270	8.012	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	113.7847	2.646	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.7847	2.646	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	113.7847	2.646	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	111.1500	0.000	1	111.1500	0.000	1	112.5577	2.863	3	112.5577	2.863	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	113.2615	1.660	2	113.2615	2.754	2	112.5577	2.863	3	112.5577	2.863	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	111.3683	0.312	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[6]S[5]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.3683	0.312	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	111.3683	0.312	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	112.4606	8.249	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	112.4606	8.249	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	112.4606	8.249	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	112.4606	8.249	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	112.4606	8.249	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:3:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.3880	0.000	1	118.3880	0.000	1	118.3880	0.000	1	118.3880	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	3:4:4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	114.2025	0.240	4	114.2025	0.058	4	114.2025	0.058	4	114.2025	0.058	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	115.2052	10.700	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	111.7720	0.000	1	111.9545	0.067	2	111.9545	0.067	2	115.2052	10.700	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[5,6]C[5,6]O[5]H)(CH3)(H){1|Si<4>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	112.1370	0.000	1	111.9545	0.067	2	111.9545	0.067	2	115.2052	10.700	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	115.2052	10.700	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2H)(O[5]C[5])(H){1|O<2>,1|S<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	119.1000	0.782	2	119.1000	0.612	2	119.1000	0.612	2	115.2052	10.700	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	115.3225	0.913	2	115.3225	0.833	2	115.3225	0.833	2	115.3225	0.833	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	117.7100	0.000	1	117.7100	0.000	1	115.2660	4.553	4	114.7478	3.736	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	116.4000	0.000	1	114.4513	2.848	3	115.2660	4.553	4	114.7478	3.736	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	113.4770	0.000	2	114.4513	2.848	3	115.2660	4.553	4	114.7478	3.736	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	113.7115	1.341	2	113.7115	1.799	2	113.7115	1.799	2	114.7478	3.736	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	115.5470	0.007	2	115.5470	0.000	2	115.5470	0.000	2	115.5470	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	3:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.2690	0.378	2	112.2690	0.143	2	112.1853	0.092	3	112.1853	0.092	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.0180	0.000	1	112.0180	0.000	1	112.1853	0.092	3	112.1853	0.092	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	113.3033	5.375	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	113.3033	5.375	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	113.3033	5.375	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:3:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	C[5,6](C[5,6]Se[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]H)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2{1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:3:2:1:	3:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	106.5680	0.180	4	106.5680	0.032	4	106.5680	0.032	4	106.5680	0.032	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	112.6650	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	114.2762	6.573	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	115.3680	0.000	1	115.3680	0.000	1	115.3680	0.000	1	114.2762	6.573	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,5|C<4>,5|H<1>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	114.2762	6.573	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	112.6380	0.086	2	112.6380	0.007	2	112.6380	0.007	2	114.2762	6.573	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:N[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:O[5]-2:	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5])	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5])	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5]){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5]){1|C<3>,4|C<4>,6|H<1>}	110.5538	0.299	4	110.5538	0.090	4	110.5538	0.090	4	110.5538	0.090	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,6|C<4>}	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|H<1>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2{1|H<1>,2|C<3>,7|C<4>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	116.4190	0.000	1	116.4190	0.000	1	116.1330	0.164	2	113.3602	10.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	115.8470	0.000	1	115.8470	0.000	1	116.1330	0.164	2	113.3602	10.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2{1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	113.3602	10.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2{1|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,8|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	113.3602	10.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	111.6110	1.780	2	111.6110	3.170	2	111.6110	3.170	2	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	118.2180	0.000	1	118.2180	0.000	1	116.3150	7.243	2	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	114.4120	0.000	1	114.4120	0.000	1	116.3150	7.243	2	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){1|C<3>,2|H<1>,4|C<4>}	111.7270	0.000	1	112.2340	0.514	2	112.2340	0.514	2	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[6]O[5]2)(C[5]C[5,5]CC)(H){3|H<1>,5|C<4>}	112.7410	0.000	1	112.2340	0.514	2	112.2340	0.514	2	113.0543	6.947	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	114.2620	10.848	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	111.9330	0.000	1	111.9330	0.000	1	111.9330	0.000	1	114.2620	10.848	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[6]O[5]O)(H)2{1|O<2>,4|C<4>,5|H<1>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	3:4:3:1:	4:2:2:4:	C[6]-4:C[5,6]-4:N[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3){2|H<1>,3|C<3>}	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.9635	3.484	2	113.9635	12.138	2	113.9635	12.138	2	113.9635	12.138	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:3:4:1:	4:3:3:1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5])(COO){1|C<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	111.7380	0.000	1	111.7380	0.000	1	111.7380	0.000	1	111.7380	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	116.7830	0.000	1	116.7830	0.000	1	116.7830	0.000	1	116.7830	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	110.4030	0.576	2	111.1423	1.805	3	111.1423	1.805	3	111.1423	1.805	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	112.6210	0.000	1	111.1423	1.805	3	111.1423	1.805	3	111.1423	1.805	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	109.4257	0.150	3	109.4257	0.023	3	109.4257	0.023	3	109.4257	0.023	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	112.3493	0.416	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	112.0880	0.651	2	112.0880	0.423	2	112.0880	0.423	2	112.3493	0.416	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:3:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	110.5360	0.000	1	109.9130	0.776	2	110.6200	1.888	3	110.6200	1.888	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	109.2900	0.000	1	109.9130	0.776	2	110.6200	1.888	3	110.6200	1.888	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.0340	0.000	1	112.0340	0.000	1	110.6200	1.888	3	110.6200	1.888	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:3:1:	4:2:3:1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	3:4:4:1:	4:3:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	110.8220	0.000	1	110.8220	0.000	1	111.5743	0.549	3	111.9755	1.010	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.3040	0.000	1	112.3040	0.000	1	111.5743	0.549	3	111.9755	1.010	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.5970	0.000	1	111.5970	0.000	1	111.5743	0.549	3	111.9755	1.010	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	111.9755	1.010	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	107.7770	0.109	2	107.7770	0.012	2	108.6843	2.067	4	108.6843	2.067	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:2:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	109.5915	1.702	2	109.5915	2.897	2	108.6843	2.067	4	108.6843	2.067	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	111.9840	0.011	2	111.9840	0.000	2	111.9840	0.000	2	110.2985	3.788	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	108.6130	0.000	2	108.6130	0.000	2	108.6130	0.000	2	110.2985	3.788	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.4300	0.515	2	109.4300	0.265	2	109.4300	0.265	2	109.4300	0.265	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:4:1:	4:3:4:2:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6]C[6]O[5]C)(H)2{1|C<3>,3|C<4>,5|H<1>}	109.4120	0.000	1	109.4120	0.000	1	108.8400	0.654	2	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]C)(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.8400	0.654	2	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	113.0780	0.325	2	113.0780	0.106	2	113.0780	0.106	2	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	108.8647	0.363	3	108.8647	0.131	3	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	109.0730	0.000	1	108.7180	0.252	2	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.3630	0.000	1	108.7180	0.252	2	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	110.4620	0.000	1	109.3959	0.255	21	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	109.3109	0.443	19	109.3959	0.255	21	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9440	0.000	1	109.3959	0.255	21	109.2825	0.282	26	109.5060	1.225	30	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	112.5810	0.018	2	112.5810	0.000	2	112.5810	0.000	2	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	107.6210	0.000	1	107.6210	0.000	1	107.5210	0.048	3	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	107.2700	0.000	1	107.4710	0.081	2	107.5210	0.048	3	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(S[5]P[5])(H){1|C<3>,1|C<4>,1|S<1>,1|S<2>,3|H<1>}	107.6720	0.000	1	107.4710	0.081	2	107.5210	0.048	3	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	110.2361	6.591	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	110.9095	0.305	2	110.5937	0.346	3	110.5937	0.346	3	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	109.9620	0.000	1	110.5937	0.346	3	110.5937	0.346	3	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	110.0750	0.325	2	110.0750	0.106	2	110.0750	0.106	2	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	113.4835	0.337	2	113.4835	0.114	2	113.4835	0.114	2	111.7449	2.752	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO){1|Br<1>,2|C<4>,2|H<1>}	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,8|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	108.2600	0.000	1	108.2600	0.000	1	109.7425	4.396	2	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Pt<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	111.2250	0.000	1	111.2250	0.000	1	109.7425	4.396	2	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|B<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]B[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	110.4730	2.032	2	110.4730	4.130	2	109.9171	6.541	10	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.7150	0.000	1	108.7150	0.000	1	109.9171	6.541	10	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,5|H<1>}	110.8965	3.821	4	110.4852	11.797	5	109.9171	6.541	10	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	108.8400	0.000	1	110.4852	11.797	5	109.9171	6.541	10	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,5|H<1>}	108.5420	0.304	2	108.5420	0.092	2	109.9171	6.541	10	109.8880	5.756	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	113.0550	0.000	2	113.0550	0.000	2	113.0550	0.000	2	113.0550	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]Se[5]C[6]C)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	116.5080	0.000	1	116.5080	0.000	1	116.0640	0.394	2	116.0640	0.394	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	115.6200	0.000	1	115.6200	0.000	1	116.0640	0.394	2	116.0640	0.394	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.7520	0.000	1	109.8353	0.013	4	110.1034	0.369	5	110.1034	0.369	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	109.8630	0.120	3	109.8353	0.013	4	110.1034	0.369	5	110.1034	0.369	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]Se[5]C[6]C)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.1760	0.000	1	111.1760	0.000	1	110.1034	0.369	5	110.1034	0.369	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	112.2290	0.000	1	112.2290	0.000	1	112.2290	0.000	1	112.2290	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:2:4:	4:4:4:3:	4:4:1:1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:C[6]-4:C-4:N-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6]C)(C[5,6]Se[5]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:2:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>}	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(N[5]C[5]H)(H){1|C<3>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	114.0553	0.125	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.1695	0.414	2	114.1695	0.171	2	114.1695	0.171	2	114.0553	0.125	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	113.6165	0.207	2	113.6165	0.043	2	113.6165	0.043	2	111.6504	5.707	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.3365	0.070	2	109.3365	0.005	2	109.3365	0.005	2	111.6504	5.707	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	111.6504	5.707	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	109.8325	1.006	2	109.8325	1.012	2	109.8325	1.012	2	111.6504	5.707	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	111.6504	5.707	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.7620	0.239	2	113.7620	0.057	2	113.7620	0.057	2	113.7280	0.130	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	113.7280	0.130	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	113.7280	0.130	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	3:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	115.2940	0.000	1	115.2940	0.000	1	115.8715	0.667	2	115.8715	0.667	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	3:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	116.4490	0.000	1	116.4490	0.000	1	115.8715	0.667	2	115.8715	0.667	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	3:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:2:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	113.1400	0.935	3	113.1400	0.874	3	113.1400	0.874	3	113.1400	0.874	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	116.0060	9.990	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	112.5340	0.000	1	114.6510	8.963	2	114.6510	8.963	2	116.0060	9.990	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	116.7680	0.000	1	114.6510	8.963	2	114.6510	8.963	2	116.0060	9.990	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	112.6010	0.000	1	112.6010	0.000	1	112.6010	0.000	1	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.6235	0.848	2	113.6235	0.719	2	113.6235	0.719	2	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	114.4640	0.006	2	114.4640	0.000	2	114.4640	0.000	2	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.8165	2.683	2	113.8165	7.201	2	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	111.1130	0.000	1	111.1130	0.000	1	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	111.4610	0.000	1	111.4610	0.000	1	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	113.3120	0.000	1	112.4310	1.367	5	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	112.2108	1.225	4	112.4310	1.367	5	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	112.6267	0.898	3	112.6267	0.806	3	112.5202	1.893	12	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	112.4167	1.688	3	112.4167	2.850	3	112.4167	2.850	3	112.9884	2.420	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	112.5400	1.482	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	112.5400	1.482	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.5990	0.000	1	112.5990	0.000	1	112.5990	0.000	1	112.5400	1.482	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:3:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	114.1340	0.000	1	114.1340	0.000	1	114.1780	0.004	2	114.1780	0.004	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	3:4:4:3:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	114.2220	0.000	1	114.2220	0.000	1	114.1780	0.004	2	114.1780	0.004	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	108.9516	2.081	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.5880	0.000	1	108.8169	2.258	7	108.8169	2.258	7	108.9516	2.081	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.1220	0.000	1	108.8169	2.258	7	108.8169	2.258	7	108.9516	2.081	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	108.4016	0.250	5	108.8169	2.258	7	108.8169	2.258	7	108.9516	2.081	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]S[6]HH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	109.8675	1.675	2	109.8675	2.806	2	109.8675	2.806	2	109.8675	2.806	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	107.3485	15.787	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HS)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	104.5390	0.000	1	104.5390	0.000	1	104.5390	0.000	1	107.3485	15.787	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	113.8550	0.000	1	113.8550	0.000	1	111.5670	4.137	3	111.5670	4.137	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	110.4230	0.649	2	110.4230	0.421	2	111.5670	4.137	3	111.5670	4.137	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	113.3315	0.424	2	113.4382	0.063	5	113.4382	0.063	5	113.1144	0.349	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.5093	0.135	3	113.4382	0.063	5	113.4382	0.063	5	113.1144	0.349	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.3050	0.072	2	112.3050	0.005	2	112.3050	0.005	2	113.1144	0.349	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]BrH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	114.4725	0.180	2	114.4725	0.033	2	114.4725	0.033	2	113.4722	1.032	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	114.1048	0.196	5	114.1048	0.038	5	114.1048	0.038	5	113.4722	1.032	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	111.3390	0.000	1	112.4396	0.458	5	112.4396	0.458	5	113.4722	1.032	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	112.7147	0.325	4	112.4396	0.458	5	112.4396	0.458	5	113.4722	1.032	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,4|C<3>,5|H<1>}	111.7570	0.000	1	111.7570	0.000	1	113.1050	3.634	2	113.1050	3.634	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	114.4530	0.000	1	114.4530	0.000	1	113.1050	3.634	2	113.1050	3.634	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	112.9290	0.000	1	113.1160	0.070	2	113.1160	0.070	2	113.1160	0.070	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	113.3030	0.000	1	113.1160	0.070	2	113.1160	0.070	2	113.1160	0.070	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	108.4870	0.000	1	108.4870	0.000	1	108.7308	0.091	5	108.9184	0.385	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,5|H<1>}	108.7918	0.311	4	108.7918	0.097	4	108.7308	0.091	5	108.9184	0.385	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	109.2960	0.000	1	109.2960	0.000	1	108.7660	0.562	2	108.9184	0.385	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	108.2360	0.000	1	108.2360	0.000	1	108.7660	0.562	2	108.9184	0.385	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]BrH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	108.9184	0.385	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	112.1615	5.265	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,1|S<4>,4|H<1>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	112.1615	5.265	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.7500	0.000	1	112.7500	0.000	1	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.0107	0.209	3	113.8625	0.117	4	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	113.4180	0.000	1	113.8625	0.117	4	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.4595	1.459	2	113.6020	0.486	12	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.5507	0.489	7	113.6020	0.486	12	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.7400	0.000	1	113.6020	0.486	12	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.9590	0.000	1	113.6020	0.486	12	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.7510	0.000	1	113.6020	0.486	12	113.6132	0.419	17	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	115.3835	0.572	2	115.3835	0.327	2	115.3835	0.327	2	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.3110	0.000	1	113.3110	0.000	1	114.5348	0.816	5	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	115.4380	0.000	1	115.4380	0.000	1	114.5348	0.816	5	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	114.2420	0.000	1	114.2420	0.000	1	114.5348	0.816	5	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.8415	0.824	2	114.8415	0.679	2	114.5348	0.816	5	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.5820	0.000	1	113.5820	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	115.1850	0.000	1	115.0025	0.067	2	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	114.8200	0.000	1	115.0025	0.067	2	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.7850	1.153	2	113.3487	0.811	9	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.1765	1.443	2	113.3487	0.811	9	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.8120	0.000	1	113.3487	0.811	9	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	113.8508	0.602	4	113.3487	0.811	9	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	118.3205	0.295	2	117.5148	1.283	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	115.6250	0.000	1	117.5148	1.283	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.6540	0.368	2	117.5148	1.283	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.6190	0.000	1	114.4900	1.713	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.8450	0.000	1	114.4900	1.713	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	113.4085	0.057	2	114.4900	1.713	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.1690	0.000	1	114.4900	1.713	5	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.2000	0.000	1	114.2661	0.295	10	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	114.3025	0.680	2	114.2661	0.295	10	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	114.2290	0.994	2	114.2661	0.295	10	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	114.4140	0.528	4	114.2661	0.295	10	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	113.7420	0.000	1	114.2661	0.295	10	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4930	0.000	1	112.4930	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	116.0360	0.000	1	116.0360	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.8000	0.450	2	117.3077	0.828	3	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.3230	0.000	1	117.3077	0.828	3	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	115.7350	0.000	1	115.7350	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.7570	0.000	1	113.8780	0.029	2	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	113.9990	0.000	1	113.8780	0.029	2	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	117.0160	0.000	1	117.0160	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.8040	0.000	1	114.8040	0.000	1	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	113.8281	0.175	8	113.8281	0.030	8	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	116.3315	0.636	2	116.3315	0.404	2	114.7204	2.536	52	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.4165	0.182	2	113.8864	0.366	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.6462	0.606	6	113.8864	0.366	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	114.2680	0.000	1	113.8864	0.366	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	112.2440	0.000	1	112.2440	0.000	1	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.3063	0.246	4	113.9096	2.607	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.5900	0.000	1	113.9096	2.607	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	112.7220	0.113	2	113.9096	2.607	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	115.9635	2.736	2	113.9096	2.607	9	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	115.2100	0.000	1	115.2100	0.000	1	113.8809	1.486	20	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.6735	0.275	4	109.6735	0.076	4	109.6735	0.076	4	114.2256	2.907	102	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	112.5663	0.034	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	112.6870	0.000	1	112.6870	0.000	1	112.6720	0.000	2	112.5663	0.034	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	112.6570	0.000	1	112.6570	0.000	1	112.6720	0.000	2	112.5663	0.034	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Br){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Br)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Cl-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(Cl){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	110.9825	0.243	2	110.9825	0.059	2	110.9825	0.059	2	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	116.8940	0.000	1	116.8940	0.000	1	113.2335	26.799	2	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.5730	0.000	1	109.5730	0.000	1	113.2335	26.799	2	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,7|H<1>}	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.4150	0.000	1	112.4150	0.000	1	114.2305	6.592	2	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	116.0460	0.000	1	116.0460	0.000	1	114.2305	6.592	2	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	112.4820	6.808	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	3:4:2:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-3:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO){1|C<2>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.4645	0.811	2	113.4645	0.658	2	113.4645	0.658	2	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	112.2230	0.000	1	112.2230	0.000	1	113.7248	4.053	5	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.8790	0.000	1	112.8790	0.000	1	113.7248	4.053	5	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.9750	0.000	1	116.9750	0.000	1	113.7248	4.053	5	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	113.2735	1.507	2	113.2735	2.271	2	113.7248	4.053	5	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	113.7181	2.212	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|O<2>,4|H<1>}	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	114.4101	0.901	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	114.5413	0.846	13	114.5413	0.716	13	114.5413	0.716	13	114.4101	0.901	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,1|N<3>,5|H<1>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	106.8513	0.019	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{3|C<3>,3|H<1>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	106.8513	0.019	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	106.8513	0.019	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:B[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	108.7245	0.838	2	108.7245	0.702	2	108.7245	0.702	2	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.5430	0.000	1	110.5430	0.000	1	112.0925	4.802	2	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.6420	0.000	1	113.6420	0.000	1	112.0925	4.802	2	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	112.1660	0.000	1	113.2407	0.867	3	112.9496	0.802	5	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	113.7780	0.042	2	113.2407	0.867	3	112.9496	0.802	5	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.1610	0.000	1	112.5130	0.840	2	112.9496	0.802	5	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.8650	0.000	1	112.5130	0.840	2	112.9496	0.802	5	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.9110	0.000	1	112.9110	0.000	1	112.7060	0.084	2	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	112.5010	0.000	1	112.5010	0.000	1	112.7060	0.084	2	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.1530	0.000	1	111.1530	0.000	1	114.6570	9.209	3	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.4090	0.016	2	116.4090	0.000	2	114.6570	9.209	3	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.5340	0.385	2	113.2820	0.264	3	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.7780	0.000	1	113.2820	0.264	3	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	112.0110	0.033	2	112.0110	0.001	2	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.9560	0.346	2	114.9560	0.120	2	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.9490	0.000	1	112.9490	0.000	1	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.3841	1.213	9	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.7010	0.000	1	113.7010	0.000	1	113.7010	0.000	1	112.9531	3.589	25	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:3:4:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:B[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	113.4350	0.102	2	113.4350	0.010	2	113.4350	0.010	2	113.4350	0.010	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.0020	0.000	1	115.0020	0.000	1	113.8840	1.457	3	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.6040	0.000	1	112.6040	0.000	1	113.8840	1.457	3	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	114.0460	0.000	1	114.0460	0.000	1	113.8840	1.457	3	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.5700	0.000	1	113.5700	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9970	0.000	1	112.9970	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.0740	0.000	1	113.0740	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.8440	0.000	1	112.8440	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.1670	0.075	2	113.1670	0.006	2	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.7070	0.000	1	115.7070	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	114.0940	0.000	1	114.0940	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.5470	0.000	1	113.5470	0.000	1	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.7835	0.721	2	113.7835	0.519	2	113.6122	0.686	11	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	113.3420	1.218	2	113.3420	1.483	2	112.9246	0.555	5	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.3290	0.000	1	112.3290	0.000	1	112.9246	0.555	5	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	112.8050	0.085	2	112.8050	0.007	2	112.9246	0.555	5	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	113.3245	1.197	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.0090	0.000	1	115.3545	3.621	2	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.7000	0.000	1	115.3545	3.621	2	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.4105	0.241	2	116.9137	0.571	4	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.4170	0.802	2	116.9137	0.571	4	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	112.8540	0.000	1	112.8540	0.000	1	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.6900	0.000	1	112.6900	0.000	1	115.4885	4.038	8	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.2230	0.219	2	112.2230	0.048	2	112.2230	0.048	2	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	114.6850	4.475	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	112.8268	0.792	4	112.8268	0.627	4	112.8268	0.627	4	112.5548	0.840	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HN)(H){1|C<4>,3|C<3>,5|H<1>}	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	112.5548	0.840	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|S<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	112.9880	0.923	2	112.9880	0.853	2	112.9880	0.853	2	112.9880	0.853	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]N[5,6]HH)(C[6]C[6]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,1|S<3>,3|H<1>}	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	115.0410	0.165	2	115.0410	0.027	2	115.0410	0.027	2	115.0410	0.027	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	112.5312	10.393	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	109.8765	0.762	2	109.8765	0.580	2	111.2807	6.205	3	112.5312	10.393	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	114.0890	0.000	1	114.0890	0.000	1	111.2807	6.205	3	112.5312	10.393	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	113.9522	0.319	5	113.9522	0.102	5	113.9522	0.102	5	113.9522	0.102	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[4x6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[3x6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	109.4990	0.236	2	109.4990	0.056	2	109.4990	0.056	2	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,5|H<1>}	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	109.1690	0.000	1	109.1690	0.000	1	110.0212	0.435	5	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	110.4900	0.000	1	110.2343	0.277	4	110.0212	0.435	5	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.1440	0.863	2	110.2343	0.277	4	110.0212	0.435	5	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,3|O<2>,4|H<1>}	110.1590	0.000	1	110.2343	0.277	4	110.0212	0.435	5	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	108.9840	0.000	1	109.2147	1.333	3	109.2147	1.333	3	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,3|C<4>,6|H<1>}	109.3300	1.608	2	109.2147	1.333	3	109.2147	1.333	3	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	109.0260	0.200	4	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.1730	0.000	1	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	109.1223	0.302	3	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	108.1670	0.544	2	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.0140	0.000	1	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	107.7010	0.000	1	108.6411	0.348	12	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	109.1973	0.564	3	108.6319	0.682	7	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	108.2133	0.942	3	108.6319	0.682	7	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.1910	0.000	1	108.6319	0.682	7	108.6377	0.440	19	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.5960	0.000	1	108.5960	0.000	1	105.4975	56.917	4	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	94.3081	0.000	1	94.3081	0.000	1	105.4975	56.917	4	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.2750	0.000	1	108.2750	0.000	1	105.4975	56.917	4	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	110.8110	0.000	1	110.8110	0.000	1	105.4975	56.917	4	108.6153	6.955	35	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.8090	0.000	1	113.3887	0.678	3	113.3887	0.678	3	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.1785	1.044	2	113.3887	0.678	3	113.3887	0.678	3	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.7290	0.000	1	109.4300	1.135	6	109.8673	2.285	7	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	109.5572	1.274	4	109.4300	1.135	6	109.8673	2.285	7	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	108.6220	0.000	1	109.4300	1.135	6	109.8673	2.285	7	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,3x6]HO)(C[6]C[6]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	112.4910	0.000	1	112.4910	0.000	1	109.8673	2.285	7	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	107.5200	0.182	2	107.5200	0.033	2	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	105.8260	0.000	1	105.8260	0.000	1	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	108.5730	0.000	1	107.9003	0.546	3	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.5640	0.643	2	107.9003	0.546	3	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	108.8480	0.386	5	108.8480	0.149	5	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.0791	0.953	12	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	108.5510	0.000	1	108.5510	0.000	1	108.3824	0.021	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	108.2350	0.059	2	108.3402	0.017	4	108.3824	0.021	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	108.4455	0.050	2	108.3402	0.017	4	108.3824	0.021	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	108.7500	0.440	2	109.3760	1.272	3	109.3760	1.272	3	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.6280	0.000	1	109.3760	1.272	3	109.3760	1.272	3	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]N)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	113.9320	1.035	2	113.9320	1.072	2	113.9320	1.072	2	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.4430	0.000	1	109.4430	0.000	1	112.7618	5.743	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	113.8410	0.000	1	113.8410	0.000	1	112.7618	5.743	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	115.9550	0.000	1	115.9550	0.000	1	112.7618	5.743	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	112.0170	0.000	1	112.0170	0.000	1	112.7618	5.743	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	112.5530	0.000	1	112.5530	0.000	1	112.7618	5.743	5	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,1|S<4>,4|H<1>}	108.6270	0.000	1	109.8415	2.950	2	109.8415	2.950	2	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<4>,1|S<1>,1|S<4>,4|H<1>}	111.0560	0.000	1	109.8415	2.950	2	109.8415	2.950	2	109.8717	5.434	42	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	108.8245	0.450	2	108.8245	0.203	2	108.8245	0.203	2	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	114.2490	0.000	1	114.2490	0.000	1	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	113.7100	0.000	1	115.2728	1.910	4	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	116.4355	0.042	2	115.2728	1.910	4	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	114.5100	0.000	1	115.2728	1.910	4	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	113.8890	0.000	1	113.8890	0.000	1	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	111.1930	0.000	1	111.1930	0.000	1	114.3460	3.221	7	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	112.7803	8.586	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	113.0800	0.000	1	117.3747	13.846	3	117.3747	13.846	3	117.1123	9.506	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(C[5]C[5]O)(H){1|C<3>,1|N<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	119.5220	0.161	2	117.3747	13.846	3	117.3747	13.846	3	117.1123	9.506	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	117.1123	9.506	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.9650	2.479	2	114.9650	6.146	2	114.9650	6.146	2	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)2(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.5959	0.935	8	113.5959	0.874	8	113.5959	0.874	8	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.9690	0.324	2	112.9690	0.105	2	112.9690	0.105	2	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	114.6835	2.014	10	114.4021	4.891	16	114.4021	4.891	16	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	113.1762	2.769	4	114.4021	4.891	16	114.4021	4.891	16	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	115.4465	2.208	2	114.4021	4.891	16	114.4021	4.891	16	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.5755	0.620	2	117.5755	0.385	2	117.5755	0.385	2	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.3120	1.030	2	115.0904	0.892	5	114.1811	1.020	14	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.9427	1.083	3	115.0904	0.892	5	114.1811	1.020	14	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.5877	0.621	8	113.6760	0.408	9	114.1811	1.020	14	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.3820	0.000	1	113.6760	0.408	9	114.1811	1.020	14	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	112.8690	0.000	1	112.8690	0.000	1	113.4140	1.141	3	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]S)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	113.6865	1.356	2	113.6865	1.837	2	113.4140	1.141	3	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.3665	0.244	2	111.2170	2.618	64	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	111.1353	1.867	36	111.2170	2.618	64	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	111.2450	0.368	2	111.2170	2.618	64	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	111.4915	1.212	24	111.2170	2.618	64	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,5|H<1>}	110.9229	0.619	16	110.6807	0.519	26	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	111.2405	0.264	2	110.6807	0.519	26	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<4>,1|N<3>,5|H<1>}	110.2810	0.763	4	110.6807	0.519	26	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,5|H<1>}	109.8315	0.328	4	110.6807	0.519	26	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H){1|C<3>,1|C<4>,5|H<1>}	110.1220	2.336	4	110.1220	5.457	4	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H){1|C<3>,1|C<4>,5|H<1>}	110.2805	0.756	4	110.2805	0.571	4	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Ir)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,4|H<1>}	112.8690	0.763	4	112.8690	0.583	4	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]Rh)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,4|H<1>}	111.7200	0.945	4	111.7200	0.892	4	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	110.3577	0.753	4	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	110.4795	0.278	2	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	109.6951	0.617	10	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	109.8220	0.499	8	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	110.6995	0.970	15	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	110.2968	0.912	14	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	109.3765	0.305	2	110.2058	0.744	55	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]S)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	111.6945	2.067	4	111.6945	4.273	4	110.8100	1.896	165	111.5663	4.123	213	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6,6]HH)(C[5]O[5]O)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	112.8270	15.539	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)2{1|C<4>,1|O<1>,4|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	112.8270	15.539	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	112.8270	15.539	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	112.8270	15.539	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	112.8270	15.539	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.2850	0.000	1	113.2850	0.000	1	114.4964	0.640	5	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	114.3925	0.141	2	114.7993	0.242	4	114.4964	0.640	5	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.2060	0.208	2	114.7993	0.242	4	114.4964	0.640	5	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:S[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(S[5]C[5]O)(H){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	114.5067	0.153	3	114.5067	0.023	3	114.5067	0.023	3	114.0375	1.299	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	117.4760	0.000	1	117.4760	0.000	1	113.7925	6.186	4	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	112.4265	0.593	2	112.4265	0.352	2	113.7925	6.186	4	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.8410	0.000	1	112.8410	0.000	1	113.7925	6.186	4	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	113.0840	0.000	1	113.0840	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	112.0130	0.000	1	111.0530	1.843	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.0930	0.000	1	111.0530	1.843	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	113.4356	0.381	5	112.6084	1.958	9	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	111.2210	0.000	1	112.6084	1.958	9	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	113.8840	0.000	1	112.6084	1.958	9	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.5965	0.110	2	112.6084	1.958	9	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	112.7620	0.000	1	112.7620	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	111.3240	0.000	1	111.3240	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	114.6435	0.846	2	114.6435	0.716	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	113.8230	1.099	2	113.8230	1.207	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	113.6730	1.385	2	113.6730	1.917	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	113.8430	0.000	1	113.8430	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	114.1910	0.000	1	112.5835	5.168	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	110.9760	0.000	1	112.5835	5.168	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	113.5000	0.000	1	113.5000	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	114.3230	0.957	2	114.3230	0.917	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|H<1>,2|S<4>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	111.0260	0.000	1	111.0260	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	111.0835	1.698	2	111.0835	2.882	2	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	111.5090	0.000	1	111.5090	0.000	1	112.7630	2.290	30	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	114.6630	0.000	1	114.6630	0.000	1	114.9105	0.123	2	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	115.1580	0.000	1	115.1580	0.000	1	114.9105	0.123	2	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	113.0306	2.835	40	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.9665	0.006	2	113.4487	0.804	3	113.4487	0.804	3	113.4487	0.804	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.4130	0.000	1	113.4487	0.804	3	113.4487	0.804	3	113.4487	0.804	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,3|C<4>,5|H<1>}	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	116.7700	0.000	1	116.7700	0.000	1	116.7700	0.000	1	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]N)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	114.9670	0.000	1	114.9670	0.000	1	114.5463	0.442	3	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	114.3360	0.786	2	114.3360	0.618	2	114.5463	0.442	3	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2{3|H<1>,5|C<4>}	110.6500	0.501	4	110.6500	0.251	4	110.6500	0.251	4	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	115.0735	0.165	2	115.0735	0.027	2	115.0735	0.027	2	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	116.2130	0.000	1	116.2130	0.000	1	114.4170	6.451	2	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	112.6210	0.000	1	112.6210	0.000	1	114.4170	6.451	2	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	114.8205	0.091	2	114.8205	0.008	2	114.8205	0.008	2	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	113.7789	5.216	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:3:4:4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	108.6100	0.049	2	108.6100	0.002	2	108.6100	0.002	2	111.7725	13.387	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	111.7725	13.387	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	111.7725	13.387	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	112.7684	8.227	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	109.7725	0.651	2	109.7725	0.424	2	109.7725	0.424	2	112.7684	8.227	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	112.7684	8.227	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	112.7684	8.227	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.8010	0.000	1	113.8010	0.000	1	113.8010	0.000	1	113.8010	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.6517	0.434	3	110.6517	0.188	3	110.6517	0.188	3	113.0850	6.834	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	113.2977	1.530	3	113.2977	2.342	3	113.2977	2.342	3	113.0850	6.834	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	115.2470	0.000	1	115.2470	0.000	1	115.3057	8.459	3	113.0850	6.834	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.2430	0.000	1	118.2430	0.000	1	115.3057	8.459	3	113.0850	6.834	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	112.4270	0.000	1	112.4270	0.000	1	115.3057	8.459	3	113.0850	6.834	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	114.6240	0.000	1	114.6240	0.000	1	113.9100	1.020	2	113.9100	1.020	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.1960	0.000	1	113.1960	0.000	1	113.9100	1.020	2	113.9100	1.020	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]CH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	119.6610	0.936	2	117.6585	8.825	6	117.6585	8.825	6	117.6585	8.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	114.0425	1.288	2	117.6585	8.825	6	117.6585	8.825	6	117.6585	8.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	3:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	119.2720	1.488	2	117.6585	8.825	6	117.6585	8.825	6	117.6585	8.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.8310	1.644	3	113.8310	2.702	3	113.8310	2.702	3	113.8310	2.702	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	107.3223	0.643	3	107.3223	0.414	3	107.3223	0.414	3	107.3223	0.414	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	110.2320	0.000	1	110.2320	0.000	1	111.4850	1.691	6	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.4810	0.000	1	110.4810	0.000	1	111.4850	1.691	6	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.5960	1.701	2	111.5960	2.894	2	111.4850	1.691	6	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.5025	0.941	2	112.5025	0.886	2	111.4850	1.691	6	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.9820	0.513	2	113.9820	0.264	2	113.9820	0.264	2	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	111.7801	3.234	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	115.5553	0.373	3	115.5553	0.139	3	115.5553	0.139	3	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	113.5907	6.724	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:3:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	115.5350	0.000	1	115.5350	0.000	1	115.5350	0.000	1	115.5350	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:3:3:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	115.4570	0.000	1	115.4570	0.000	1	115.4570	0.000	1	114.2364	1.546	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	114.0930	0.000	1	114.0930	0.000	1	113.9313	1.440	4	114.2364	1.546	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	113.8773	1.464	3	113.8773	2.143	3	113.9313	1.440	4	114.2364	1.546	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	3:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]CH)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(CHHN)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	108.2097	0.830	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<2>,1|O<1>,2|C<4>,2|H<1>}	108.6063	0.284	3	108.6063	0.081	3	108.8210	0.238	4	108.2097	0.830	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.4650	0.000	1	109.4650	0.000	1	108.8210	0.238	4	108.2097	0.830	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	107.0770	0.000	1	107.0770	0.000	1	107.3347	0.086	4	108.2097	0.830	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[6]C[4,5,6,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.4207	0.291	3	107.4207	0.085	3	107.3347	0.086	4	108.2097	0.830	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.2790	2.473	2	115.2790	6.118	2	115.2790	6.118	2	113.3614	4.851	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	113.3614	4.851	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.4573	0.649	3	113.3605	0.319	4	113.3605	0.319	4	113.3614	4.851	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.0700	0.000	1	113.3605	0.319	4	113.3605	0.319	4	113.3614	4.851	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	112.9070	0.000	1	112.9070	0.000	1	114.6387	4.011	3	114.6387	4.011	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	115.5045	1.877	2	115.5045	3.525	2	114.6387	4.011	3	114.6387	4.011	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	111.9983	1.583	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.2750	0.000	2	112.3413	3.411	3	112.3413	3.411	3	111.9983	1.583	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	114.4740	0.000	1	112.3413	3.411	3	112.3413	3.411	3	111.9983	1.583	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.4660	0.172	2	111.9983	1.583	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	111.1730	0.000	1	111.1730	0.000	1	111.4660	0.172	2	111.9983	1.583	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:3:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	114.0845	0.203	2	113.8240	0.115	4	113.8240	0.115	4	113.8240	0.115	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:3:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	113.5635	0.179	2	113.8240	0.115	4	113.8240	0.115	4	113.8240	0.115	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:3:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:4:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[3x6]-4:C[5,6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	115.6580	0.000	2	115.6580	0.000	2	115.6580	0.000	2	115.6580	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]O)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	113.4220	1.472	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	113.4220	1.472	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	116.0920	0.566	3	116.0920	0.321	3	116.0920	0.321	3	116.0920	0.321	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	117.7135	0.712	11	117.7135	0.507	11	117.7135	0.507	11	117.7135	0.507	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	113.0775	0.081	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	113.0775	0.081	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:2:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	112.3310	0.000	1	112.3310	0.000	1	111.8730	0.420	2	111.8730	0.420	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	111.4150	0.000	1	111.4150	0.000	1	111.8730	0.420	2	111.8730	0.420	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.2430	0.697	4	112.2430	0.486	4	112.2430	0.486	4	111.7010	1.833	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:3:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	111.7010	1.833	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[6]-4:N[5]-3:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.3473	0.436	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|S<4>,3|C<4>,6|H<1>}	107.9540	0.000	1	107.9540	0.000	1	108.4733	0.231	3	108.3473	0.436	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	108.7330	0.239	2	108.7330	0.057	2	108.4733	0.231	3	108.3473	0.436	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	108.0410	0.000	1	108.0410	0.000	1	107.8643	0.129	3	108.3473	0.436	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,3|C<4>,7|H<1>}	107.7760	0.460	2	107.7760	0.211	2	107.8643	0.129	3	108.3473	0.436	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	111.4110	14.483	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(Br)(H){1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<1>,4|H<1>,5|C<4>}	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	111.4110	14.483	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:2:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:2:2:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.8590	0.000	1	113.8590	0.000	1	113.8590	0.000	1	113.8590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:2:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	107.3100	0.000	1	107.3100	0.000	1	107.8620	0.609	2	107.8620	0.609	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	3:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	108.4140	0.000	1	108.4140	0.000	1	107.8620	0.609	2	107.8620	0.609	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	103.0060	0.000	1	103.0060	0.000	1	103.0060	0.000	1	103.0060	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:2:3:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	110.4960	0.000	1	110.4960	0.000	1	110.1525	1.325	4	109.8502	1.450	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	110.0380	1.381	3	110.0380	1.908	3	110.1525	1.325	4	109.8502	1.450	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	109.8502	1.450	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	108.1385	0.684	2	108.1385	0.468	2	108.1385	0.468	2	108.1385	0.468	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	116.3810	0.000	1	116.3810	0.000	1	116.3810	0.000	1	116.3810	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:3:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.5353	0.620	7	110.5353	0.384	7	110.5353	0.384	7	110.5353	0.384	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<1>,4|H<1>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	109.8100	0.000	2	109.8100	0.000	2	109.5440	0.094	4	110.2304	0.805	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(COO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	109.2780	0.000	2	109.2780	0.000	2	109.5440	0.094	4	110.2304	0.805	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){2|C<4>,5|H<1>}	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	110.2304	0.805	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	110.2304	0.805	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(CCH){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.2304	0.805	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	105.6195	0.839	2	105.6195	0.704	2	105.6195	0.704	2	105.6195	0.704	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.1760	0.508	3	112.1760	0.258	3	112.1760	0.258	3	112.1760	0.258	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]O)(CCO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:3:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	113.1997	0.923	6	113.1997	0.852	6	113.1997	0.852	6	113.1997	0.852	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	3:4:1:1:	3:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	3:4:1:1:	4:3:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	3:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	3:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	112.6390	0.130	2	112.6390	0.017	2	112.6390	0.017	2	112.6390	0.017	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	3:4:3:1:	4:2:3:2:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	114.9590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:2:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	3:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	3:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,6|H<1>}	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	106.3995	0.141	2	106.3995	0.020	2	107.7780	2.869	4	107.7780	2.869	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	109.8590	0.000	1	109.1565	0.987	2	107.7780	2.869	4	107.7780	2.869	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	108.4540	0.000	1	109.1565	0.987	2	107.7780	2.869	4	107.7780	2.869	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	114.4065	0.168	4	114.4065	0.028	4	114.4065	0.028	4	114.4065	0.028	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	108.2130	0.000	1	109.2375	0.503	4	109.7980	1.157	6	109.7980	1.157	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	109.5790	0.235	3	109.2375	0.503	4	109.7980	1.157	6	109.7980	1.157	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.9190	0.711	2	110.9190	0.506	2	109.7980	1.157	6	109.7980	1.157	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:3:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	P[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](P[5,6]P[5,6]C[5])(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	118.6400	0.000	1	118.6400	0.000	1	117.7505	7.786	6	117.7505	7.786	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.2853	0.024	3	117.5726	9.495	5	117.7505	7.786	6	117.7505	7.786	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:3:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	115.0035	3.997	2	117.5726	9.495	5	117.7505	7.786	6	117.7505	7.786	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	3:4:3:1:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	110.8610	0.570	2	110.8610	0.325	2	110.8610	0.325	2	110.8610	0.325	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	109.5400	1.940	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	109.5400	1.940	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.7653	0.127	3	109.7653	0.016	3	109.1057	1.345	6	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	108.4630	0.000	1	108.4630	0.000	1	109.1057	1.345	6	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	107.0090	0.000	1	108.4375	4.081	2	109.1057	1.345	6	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.8660	0.000	1	108.4375	4.081	2	109.1057	1.345	6	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<2>,3|C<4>,7|H<1>}	107.4163	0.245	8	107.4163	0.060	8	107.4782	0.195	17	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|Br<1>,1|O<1>,3|C<4>,6|H<1>}	108.2850	0.000	1	107.7007	0.239	7	107.4782	0.195	17	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,7|H<1>}	107.4325	0.476	4	107.7007	0.239	7	107.4782	0.195	17	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,4|C<4>,6|H<1>}	107.9450	0.081	2	107.7007	0.239	7	107.4782	0.195	17	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{1|O<1>,3|C<4>,5|H<1>}	106.9475	0.562	2	106.9475	0.316	2	107.4782	0.195	17	107.9028	0.981	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	106.9640	0.000	1	106.9640	0.000	1	107.4630	0.498	2	107.4630	0.498	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	107.9620	0.000	1	107.9620	0.000	1	107.4630	0.498	2	107.4630	0.498	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.2945	0.128	2	109.2945	0.016	2	108.8225	0.448	4	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,1|O<1>,4|H<1>}	108.3505	0.661	2	108.3505	0.437	2	108.8225	0.448	4	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	109.0962	1.597	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	111.6850	0.000	1	108.8023	3.703	4	108.8023	3.703	4	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.8460	0.000	1	108.8023	3.703	4	108.8023	3.703	4	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	107.8390	0.173	2	108.8023	3.703	4	108.8023	3.703	4	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	110.7030	0.000	1	110.7030	0.000	1	112.8185	8.951	2	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5,6]2C)(C[5]O[5]HO)(H){1|O<1>,4|C<4>,4|H<1>}	114.9340	0.000	1	114.9340	0.000	1	112.8185	8.951	2	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	107.9640	0.000	1	108.0820	0.028	2	111.5949	8.625	8	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	108.2000	0.000	1	108.0820	0.028	2	111.5949	8.625	8	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	110.1940	0.000	1	110.1940	0.000	1	111.5949	8.625	8	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	115.2650	0.000	1	115.2650	0.000	1	111.5949	8.625	8	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	112.7840	2.205	4	112.7840	4.860	4	111.5949	8.625	8	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	108.3280	0.000	1	108.8695	0.586	2	109.1393	0.512	3	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	109.4110	0.000	1	108.8695	0.586	2	109.1393	0.512	3	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	109.6790	0.000	1	109.6790	0.000	1	109.1393	0.512	3	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	108.3590	0.000	1	108.3590	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	107.2450	1.001	2	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	107.1820	0.000	1	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	106.6873	0.696	3	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,6|H<1>}	106.8195	0.250	2	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	108.4562	2.723	5	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	108.3225	0.153	2	107.6199	2.897	15	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	107.1300	0.000	1	106.9520	0.063	2	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	106.7740	0.000	1	106.9520	0.063	2	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	107.6657	0.137	6	107.5687	0.081	7	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	106.9870	0.000	1	107.5687	0.081	7	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,6|H<1>}	107.3535	0.928	2	107.3535	0.862	2	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<2>,3|C<4>,7|H<1>}	109.0993	0.109	3	108.6650	0.762	4	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,7|H<1>}	107.3620	0.000	1	108.6650	0.762	4	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	109.3620	0.000	1	109.3620	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	116.4670	0.000	1	116.4670	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	109.4520	0.308	3	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	108.8250	0.054	2	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.0597	0.799	4	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	108.4305	0.465	4	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.5345	0.248	4	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	108.6500	0.000	1	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.6730	0.000	1	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	109.6950	0.128	3	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	109.4281	0.431	18	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.9820	0.000	1	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	108.8661	0.513	15	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	109.3710	0.000	1	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	109.5538	1.564	57	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	108.8280	0.533	2	109.3344	1.447	116	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	108.7660	0.000	1	108.7660	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	109.1120	0.000	1	109.1737	0.111	3	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,6|H<1>}	109.5340	0.000	1	109.1737	0.111	3	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|F<1>,1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,1|O<1>,4|C<4>,5|H<1>}	108.8750	0.000	1	109.1737	0.111	3	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(H){1|O<1>,3|C<4>,7|H<1>}	108.8300	0.000	1	108.8300	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	111.8510	0.000	1	111.8510	0.000	1	109.0613	2.240	155	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	109.2292	2.940	173	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	108.3580	0.000	1	108.3580	0.000	1	113.6715	7.183	6	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	115.2850	0.543	2	115.2850	0.295	2	113.6715	7.183	6	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	114.4680	0.000	1	114.3670	0.363	3	113.6715	7.183	6	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	113.7200	0.000	1	114.3670	0.363	3	113.6715	7.183	6	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	114.9130	0.000	1	114.3670	0.363	3	113.6715	7.183	6	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	109.7870	0.000	1	112.7782	11.459	4	112.0750	8.555	8	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	115.7090	0.115	2	112.7782	11.459	4	112.0750	8.555	8	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	109.9080	0.000	1	112.7782	11.459	4	112.0750	8.555	8	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	110.0377	0.310	3	110.0377	0.096	3	112.0750	8.555	8	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	115.3740	0.000	1	115.3740	0.000	1	112.0750	8.555	8	112.7592	8.041	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:B[5]-3:	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2)	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|B<3>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2){2|O<1>,3|C<4>,4|H<1>}	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.4410	0.000	1	107.6057	1.163	3	107.7430	0.635	5	107.7430	0.635	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.1880	0.540	2	107.6057	1.163	3	107.7430	0.635	5	107.7430	0.635	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	108.1380	0.000	1	107.9490	0.071	2	107.7430	0.635	5	107.7430	0.635	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	107.7600	0.000	1	107.9490	0.071	2	107.7430	0.635	5	107.7430	0.635	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:3:1:	4:3:2:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:3:1:	4:4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	109.8905	0.415	2	109.8905	0.172	2	109.8905	0.172	2	109.8905	0.172	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.8320	0.000	1	110.1647	0.376	3	110.1647	0.376	3	110.1647	0.376	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.8310	0.291	2	110.1647	0.376	3	110.1647	0.376	3	110.1647	0.376	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	110.2770	0.458	2	110.2770	0.210	2	110.2770	0.210	2	110.2770	0.210	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.8850	0.000	1	110.8850	0.000	1	113.1420	3.838	3	113.1420	3.838	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	114.2705	0.185	2	114.2705	0.034	2	113.1420	3.838	3	113.1420	3.838	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:2:2:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	113.8870	0.000	1	113.6650	0.099	2	113.6650	0.099	2	113.6650	0.099	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:2:2:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	113.4430	0.000	1	113.6650	0.099	2	113.6650	0.099	2	113.6650	0.099	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:2:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	109.8240	0.000	1	109.8240	0.000	1	110.1045	0.157	2	110.1045	0.157	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	110.3850	0.000	1	110.3850	0.000	1	110.1045	0.157	2	110.1045	0.157	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,8|H<1>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	114.0100	60.579	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	122.9970	0.000	1	122.9970	0.000	1	122.9970	0.000	1	114.0100	60.579	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	114.0100	60.579	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	C[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	113.8750	0.082	2	113.8750	0.007	2	113.8750	0.007	2	113.8750	0.007	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	110.7950	0.885	2	110.7950	0.784	2	110.7950	0.784	2	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	111.1310	0.000	1	111.1310	0.000	1	111.1687	0.001	3	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.1875	0.022	2	111.1875	0.000	2	111.1687	0.001	3	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|F<1>,3|H<1>,4|C<3>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	110.0820	0.000	1	109.6660	0.346	2	109.6660	0.346	2	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	109.2500	0.000	1	109.6660	0.346	2	109.6660	0.346	2	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.2658	1.214	13	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	111.2680	0.000	1	111.2680	0.000	1	112.0125	1.109	2	112.0125	1.109	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	112.7570	0.000	1	112.7570	0.000	1	112.0125	1.109	2	112.0125	1.109	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	111.9450	0.000	1	111.9450	0.000	1	110.4831	2.154	15	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	109.4900	0.576	8	109.4900	0.332	8	110.4831	2.154	15	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	111.4230	1.443	3	111.4230	2.081	3	110.4831	2.154	15	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	110.6560	0.000	1	111.7040	3.257	3	110.4831	2.154	15	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	112.2280	2.206	2	111.7040	3.257	3	110.4831	2.154	15	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	108.9250	0.000	1	108.9250	0.000	1	109.6395	1.021	2	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	110.3540	0.000	1	110.3540	0.000	1	109.6395	1.021	2	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,6|H<1>}	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	110.5320	2.224	20	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	113.1810	0.000	1	113.1810	0.000	1	113.1810	0.000	1	114.7993	1.984	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	115.6085	0.200	2	115.6085	0.040	2	115.6085	0.040	2	114.7993	1.984	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	117.0365	0.009	2	116.4623	0.989	3	116.4623	0.989	3	116.4623	0.989	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	C[5,6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6a]HH)(C[5]N[5,5]CC)(H){2|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	115.3140	0.000	1	116.4623	0.989	3	116.4623	0.989	3	116.4623	0.989	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,1|N<2>,6|H<1>}	111.1175	0.302	2	111.1175	0.091	2	111.1175	0.091	2	111.1175	0.091	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	118.2325	6.192	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	116.4730	0.000	1	116.4730	0.000	1	116.4730	0.000	1	118.2325	6.192	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:2:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	111.7830	0.656	2	111.7830	0.431	2	111.7830	0.431	2	111.7830	0.431	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]S[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|S<2>,7|H<1>}	112.7605	0.627	2	112.7605	0.393	2	112.7605	0.393	2	112.7605	0.393	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<2>,3|H<1>,4|C<3>}	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	109.7685	0.602	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	109.4710	0.000	1	109.4710	0.000	1	109.3943	0.062	3	109.7685	0.602	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	109.1150	0.000	1	109.1150	0.000	1	109.3943	0.062	3	109.7685	0.602	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|H<1>,4|C<3>}	109.5970	0.000	1	109.5970	0.000	1	109.3943	0.062	3	109.7685	0.602	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	108.9580	0.000	1	108.9580	0.000	1	109.3840	0.363	2	111.3390	5.262	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<2>,4|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.3840	0.363	2	111.3390	5.262	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	113.2940	0.368	2	113.2940	0.135	2	113.2940	0.135	2	111.3390	5.262	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	112.3185	1.112	2	112.3185	1.237	2	112.3185	1.237	2	112.3185	1.237	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	111.2630	0.000	1	111.2630	0.000	1	111.2630	0.000	1	111.2630	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:2:3:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	113.9595	0.387	2	113.9595	0.150	2	113.9595	0.150	2	113.9595	0.150	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:3:2:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	112.4650	1.226	2	112.4650	1.503	2	112.4650	1.503	2	112.4650	1.503	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	110.5775	1.101	2	110.5775	1.212	2	111.1695	1.603	10	111.1695	1.603	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:3:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	111.3175	1.327	8	111.3175	1.762	8	111.1695	1.603	10	111.1695	1.603	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	110.6918	2.559	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	110.0090	1.307	4	110.0090	1.708	4	110.0090	1.708	4	110.6918	2.559	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.2200	0.573	2	111.2200	0.328	2	111.2200	0.328	2	110.6918	2.559	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:3:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){1|O<1>,2|H<1>,4|C<3>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	110.6918	2.559	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:3:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	110.4450	0.995	3	110.4450	0.990	3	110.4450	0.990	3	110.6918	2.559	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(H){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	112.3050	0.493	8	112.3050	0.243	8	112.3050	0.243	8	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	110.9520	0.000	1	110.9520	0.000	1	111.8188	0.637	5	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	112.6400	0.385	2	112.6400	0.148	2	111.8188	0.637	5	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	111.4390	0.000	1	111.4390	0.000	1	111.8188	0.637	5	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]O[5]HO)(H){3|C<3>,3|H<1>}	111.4230	0.000	1	111.4230	0.000	1	111.8188	0.637	5	111.9313	0.627	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:2:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	112.7480	4.228	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:3:1:	4:4:4:2:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	112.7480	4.228	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:2:2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	113.2333	1.787	3	113.2333	3.192	3	113.2333	3.192	3	113.2333	3.192	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	115.2230	0.000	1	115.2230	0.000	1	115.2230	0.000	1	115.3007	0.060	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	115.5740	0.000	1	115.5740	0.000	1	115.3395	0.110	2	115.3007	0.060	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	115.1050	0.000	1	115.1050	0.000	1	115.3395	0.110	2	115.3007	0.060	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:3:4:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	113.5110	1.144	2	113.5110	1.309	2	113.5110	1.309	2	113.5110	1.309	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]N[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	113.3400	0.669	2	113.3400	0.447	2	113.3400	0.447	2	113.3400	0.447	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	113.5413	2.431	3	113.5413	5.908	3	113.5413	5.908	3	113.5413	5.908	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	112.8975	0.527	2	112.8975	0.278	2	112.8975	0.278	2	112.8975	0.278	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.3425	0.217	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	113.3425	0.217	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,4|H<1>}	113.5790	0.000	1	113.5790	0.000	1	113.5790	0.000	1	113.3425	0.217	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	3:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	113.3425	0.217	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	108.5450	0.000	1	110.8935	2.492	4	110.9970	1.922	5	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	111.7550	0.000	1	110.8935	2.492	4	110.9970	1.922	5	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	111.4000	0.000	1	110.8935	2.492	4	110.9970	1.922	5	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	111.8740	0.000	1	110.8935	2.492	4	110.9970	1.922	5	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	111.4110	0.000	1	111.4110	0.000	1	110.9970	1.922	5	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	111.2090	0.000	1	110.2275	1.927	2	110.7363	1.740	3	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	109.2460	0.000	1	110.2275	1.927	2	110.7363	1.740	3	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	111.7540	0.000	1	111.7540	0.000	1	110.7363	1.740	3	110.8992	1.614	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:3:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.6470	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	109.3770	0.804	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	109.3770	0.804	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	108.8645	0.039	2	108.8645	0.002	2	109.6264	0.933	5	109.3770	0.804	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.0490	0.000	1	109.0490	0.000	1	109.6264	0.933	5	109.3770	0.804	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	110.6770	0.168	2	110.6770	0.028	2	109.6264	0.933	5	109.3770	0.804	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	111.2930	0.282	5	111.2930	0.080	5	111.2930	0.080	5	110.8970	1.005	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	110.8970	1.005	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:3:2:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	111.0025	0.074	2	111.0025	0.006	2	111.0025	0.006	2	111.0025	0.006	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|C<4>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	109.9719	4.646	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.5860	0.000	1	109.9700	4.268	3	109.8452	4.898	11	109.9719	4.646	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	111.1620	0.100	2	109.9700	4.268	3	109.8452	4.898	11	109.9719	4.646	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	109.7984	2.402	8	109.7984	5.769	8	109.8452	4.898	11	109.9719	4.646	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]O[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<3>,3|O<2>,4|H<1>}	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	112.0367	4.139	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	108.7900	0.365	2	108.7900	0.133	2	108.7900	0.133	2	112.0367	4.139	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	111.6417	1.190	3	111.6417	1.416	3	111.6417	1.416	3	112.0367	4.139	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	113.7330	0.677	3	113.7330	0.458	3	113.7330	0.458	3	112.0367	4.139	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	112.1410	1.768	3	112.1410	3.126	3	112.1410	3.126	3	112.0367	4.139	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	110.5860	0.000	1	111.7515	2.717	2	111.7465	1.105	4	111.7465	1.105	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	112.9170	0.000	1	111.7515	2.717	2	111.7465	1.105	4	111.7465	1.105	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	111.1940	0.000	1	111.1940	0.000	1	111.7465	1.105	4	111.7465	1.105	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	112.2890	0.000	1	112.2890	0.000	1	111.7465	1.105	4	111.7465	1.105	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	110.3277	2.802	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	111.2940	0.037	2	111.2940	0.001	2	111.2940	0.001	2	110.3277	2.802	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{2|O<2>,7|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:2:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	108.7953	5.859	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H)	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(COS)(H){2|C<4>,3|O<2>,4|H<1>}	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	108.7953	5.859	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	106.0030	0.000	1	106.0030	0.000	1	106.0030	0.000	1	108.7953	5.859	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.4608	2.371	5	112.4608	5.619	5	112.4608	5.619	5	112.5663	4.562	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|Si<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	112.5663	4.562	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.7320	0.170	2	113.7320	0.029	2	113.7320	0.029	2	113.7320	0.029	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	112.7600	0.000	1	112.7600	0.000	1	112.8810	0.113	4	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	112.9213	0.400	3	112.9213	0.160	3	112.8810	0.113	4	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	112.2260	0.000	1	112.5240	0.351	6	112.5801	0.347	9	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	112.2953	0.701	3	112.5240	0.351	6	112.5801	0.347	9	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	113.0160	0.199	2	112.5240	0.351	6	112.5801	0.347	9	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	111.9090	0.000	1	112.6923	0.484	3	112.5801	0.347	9	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	113.0840	0.218	2	112.6923	0.484	3	112.5801	0.347	9	112.7585	0.362	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]O[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.5625	0.460	2	112.5625	0.212	2	112.5625	0.212	2	112.5625	0.212	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	112.1600	0.687	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	112.1600	0.687	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	112.1600	0.687	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:2:4:4:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	112.8270	0.109	3	112.8270	0.012	3	112.8270	0.012	3	112.8270	0.012	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:F-1:F-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.6327	0.172	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	109.1680	0.000	1	109.1680	0.000	1	109.4655	0.177	2	109.6327	0.172	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.4655	0.177	2	109.6327	0.172	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	113.6410	0.000	1	113.6410	0.000	1	113.6410	0.000	1	113.6410	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	3:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	112.3760	0.000	1	111.6625	1.018	2	111.6625	1.018	2	111.6625	1.018	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	110.9490	0.000	1	111.6625	1.018	2	111.6625	1.018	2	111.6625	1.018	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:2:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	114.0090	0.000	1	114.0090	0.000	1	113.7257	0.485	9	113.7257	0.485	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	113.7580	0.703	2	113.7580	0.494	2	113.7257	0.485	9	113.7257	0.485	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.7610	0.000	1	113.7610	0.000	1	113.7257	0.485	9	113.7257	0.485	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.6707	1.043	4	113.6707	1.088	4	113.7257	0.485	9	113.7257	0.485	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CN)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	113.5620	0.000	1	113.5620	0.000	1	113.7257	0.485	9	113.7257	0.485	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	110.5430	0.000	1	109.5880	1.824	2	109.5880	1.824	2	109.5880	1.824	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	108.6330	0.000	1	109.5880	1.824	2	109.5880	1.824	2	109.5880	1.824	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:3:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	114.1810	0.123	2	114.1810	0.015	2	114.1810	0.015	2	113.7274	0.312	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	112.9790	0.000	1	112.9790	0.000	1	113.5460	0.321	5	113.7274	0.312	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	113.6877	0.542	4	113.6877	0.294	4	113.5460	0.321	5	113.7274	0.312	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	114.7130	0.157	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.7130	0.157	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.5437	1.382	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	108.5437	1.382	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.5437	1.382	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	111.3400	0.041	2	111.3400	0.002	2	111.3400	0.002	2	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.5010	0.000	1	109.5010	0.000	1	107.5470	7.636	2	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	105.5930	0.000	1	105.5930	0.000	1	107.5470	7.636	2	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	117.4160	0.000	1	117.4160	0.000	1	117.4160	0.000	1	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.7500	0.755	2	112.7500	0.570	2	112.7500	0.570	2	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	113.2615	1.877	2	113.2615	3.525	2	113.2615	3.525	2	111.9446	9.547	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:2:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	111.2410	0.000	1	111.2410	0.000	1	112.2425	2.122	4	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	112.3970	2.199	2	112.5763	2.515	3	112.2425	2.122	4	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	112.9350	0.000	1	112.5763	2.515	3	112.2425	2.122	4	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	111.3980	0.000	1	111.3980	0.000	1	110.4494	1.276	5	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,8|H<1>}	110.7580	0.000	1	110.7853	0.020	3	110.4494	1.276	5	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<3>,7|H<1>}	110.7990	0.197	2	110.7853	0.020	3	110.4494	1.276	5	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	108.4930	0.000	1	108.4930	0.000	1	110.4494	1.276	5	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.9986	2.351	14	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.5833	0.561	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	111.5833	0.561	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH)	C[5,6](C[5,6]C[5]C[6]N)(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(NCH){1|C<3>,1|C<4>,4|H<1>}	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	111.5833	0.561	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	111.1120	0.000	1	111.1120	0.000	1	112.0105	1.615	2	112.0105	1.615	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	112.9090	0.000	1	112.9090	0.000	1	112.0105	1.615	2	112.0105	1.615	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	112.9540	0.000	2	112.9540	0.000	2	112.9540	0.000	2	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|N<3>,3|C<3>,6|H<1>}	108.3610	0.000	2	108.3610	0.000	2	108.3610	0.000	2	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	110.6570	0.000	1	110.6570	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	110.8150	0.000	1	110.8150	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<3>,6|H<1>}	111.4510	0.000	1	111.4510	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]HH)(H){1|C<3>,2|O<2>,4|H<1>}	112.4020	0.000	1	112.4020	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	110.0530	0.000	1	110.0530	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	110.4950	0.071	2	110.4950	0.005	2	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]P[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,5|H<1>}	111.8325	0.224	2	111.8325	0.050	2	111.2300	0.575	11	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	111.5580	0.000	1	112.2730	1.425	3	111.7190	1.053	6	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	113.6510	0.000	1	112.2730	1.425	3	111.7190	1.053	6	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	111.6100	0.000	1	112.2730	1.425	3	111.7190	1.053	6	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	111.4440	0.327	2	111.4440	0.107	2	111.7190	1.053	6	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	110.6070	0.000	1	110.6070	0.000	1	111.7190	1.053	6	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	113.5200	0.000	1	113.5200	0.000	1	113.5200	0.000	1	111.4830	1.790	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	115.2480	0.000	1	115.2480	0.000	1	115.2480	0.000	1	113.7540	4.464	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	113.7540	4.464	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	112.8895	0.098	2	112.8895	0.010	2	112.8895	0.010	2	111.5502	2.400	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	111.5502	2.400	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	111.1590	0.000	1	111.1590	0.000	1	111.4185	0.135	2	111.5502	2.400	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	111.6780	0.000	1	111.6780	0.000	1	111.4185	0.135	2	111.5502	2.400	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	111.6080	9.426	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	111.6080	9.426	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	110.1715	1.282	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.1715	1.282	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]C[5])(H){1|C<3>,1|O<2>,7|H<1>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	112.3805	9.166	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	112.3805	9.166	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5940	1.177	2	111.5940	1.384	2	111.5940	1.384	2	112.3805	9.166	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	112.0265	0.903	2	111.9759	1.101	10	111.6651	1.842	15	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	111.4360	1.677	2	111.9759	1.101	10	111.6651	1.842	15	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	112.1390	1.052	6	111.9759	1.101	10	111.6651	1.842	15	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	111.0436	1.801	5	111.0436	3.244	5	111.6651	1.842	15	111.9195	2.134	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	113.0253	0.840	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	111.9565	0.033	2	112.9160	0.826	5	112.9160	0.826	5	113.0253	0.840	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	113.5557	0.342	3	112.9160	0.826	5	112.9160	0.826	5	113.0253	0.840	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	113.0253	0.840	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	3:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	114.9703	3.395	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:2:2:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	116.9780	0.000	1	115.7770	2.885	2	115.7770	2.885	2	114.9703	3.395	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:2:2:1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	114.5760	0.000	1	115.7770	2.885	2	115.7770	2.885	2	114.9703	3.395	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	112.8210	0.000	1	112.8210	0.000	1	112.3415	0.460	2	112.3415	0.460	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	111.8620	0.000	1	111.8620	0.000	1	112.3415	0.460	2	112.3415	0.460	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	112.5030	0.000	1	112.5030	0.000	1	113.7127	2.745	3	113.7127	2.745	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	114.3175	1.815	2	114.3175	3.295	2	113.7127	2.745	3	113.7127	2.745	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:3:3:	4:3:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	111.7250	4.464	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	111.7250	4.464	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	112.5455	0.228	2	112.5455	0.052	2	112.5455	0.052	2	112.5455	0.052	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]H)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.7130	1.531	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	110.7130	1.531	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	113.4307	0.394	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.4307	0.394	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	113.4307	0.394	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	111.7745	0.701	4	111.4056	1.049	5	111.4056	1.049	5	111.4056	1.049	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.9300	0.000	1	111.4056	1.049	5	111.4056	1.049	5	111.4056	1.049	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	113.0169	0.600	7	113.0169	0.360	7	113.0169	0.360	7	113.0169	0.360	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	112.8610	0.000	1	112.8610	0.000	1	115.0390	3.561	3	115.0390	3.561	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	116.1280	0.083	2	116.1280	0.007	2	115.0390	3.561	3	115.0390	3.561	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:2:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	112.7650	0.013	2	112.7650	0.000	2	112.7650	0.000	2	112.7650	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.9410	0.477	2	114.9410	0.227	2	114.9410	0.227	2	114.9410	0.227	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2{3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{2|C<3>,4|C<4>,6|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	114.5720	12.420	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	116.6055	0.173	2	116.6055	0.030	2	116.6055	0.030	2	114.5720	12.420	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	117.8020	0.000	1	117.8020	0.000	1	117.9113	0.025	3	117.9113	0.025	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	118.0940	0.000	1	118.0940	0.000	1	117.9113	0.025	3	117.9113	0.025	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	117.8380	0.000	1	117.8380	0.000	1	117.9113	0.025	3	117.9113	0.025	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.2370	0.907	2	110.2370	0.822	2	110.4128	1.147	15	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	110.9695	1.494	6	110.4455	1.379	12	110.4128	1.147	15	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.9215	0.377	6	110.4455	1.379	12	110.4128	1.147	15	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SeC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.3720	0.000	1	110.3720	0.000	1	110.4128	1.147	15	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.6040	0.000	1	110.6040	0.000	1	111.7063	1.845	6	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	110.9450	0.509	3	110.9450	0.259	3	111.7063	1.845	6	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.3995	0.134	2	113.3995	0.018	2	111.7063	1.845	6	110.7824	1.623	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	113.8700	0.968	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	113.8700	0.968	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	114.2635	0.844	2	114.2635	0.712	2	114.2635	0.712	2	113.8700	0.968	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	111.1063	1.235	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	111.1063	1.235	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	111.1063	1.235	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	111.8192	0.411	4	111.8192	0.169	4	111.8192	0.169	4	111.1063	1.235	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.1063	1.235	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	114.0595	0.301	2	113.3495	1.187	4	113.3495	1.187	4	113.4635	0.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	112.6395	1.206	2	113.3495	1.187	4	113.3495	1.187	4	113.4635	0.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	114.1430	0.000	1	114.1430	0.000	1	113.6915	0.408	2	113.4635	0.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	113.2400	0.000	1	113.2400	0.000	1	113.6915	0.408	2	113.4635	0.825	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,6|H<1>}	113.2260	0.000	1	113.2260	0.000	1	113.6112	0.638	4	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	114.2630	0.272	2	114.2630	0.074	2	113.6112	0.638	4	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	112.6930	0.000	1	112.6930	0.000	1	113.6112	0.638	4	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	111.3170	0.000	1	111.3170	0.000	1	110.7716	0.599	5	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	110.6352	0.822	4	110.6352	0.675	4	110.7716	0.599	5	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	113.1160	0.000	1	113.1160	0.000	1	113.6945	0.669	2	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	114.2730	0.000	1	114.2730	0.000	1	113.6945	0.669	2	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	114.1585	0.496	2	114.1585	0.246	2	114.1585	0.246	2	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	114.4150	0.000	1	114.4150	0.000	1	113.8297	1.408	9	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	114.0768	1.706	4	113.7565	1.554	8	113.8297	1.408	9	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	113.4363	0.664	4	113.7565	1.554	8	113.8297	1.408	9	113.1397	2.398	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	112.8393	8.213	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	116.0250	0.000	1	116.0250	0.000	1	116.0250	0.000	1	112.8393	8.213	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.8393	8.213	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	114.0210	0.610	2	114.0210	0.372	2	114.0210	0.372	2	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	111.7060	0.000	1	111.6256	0.191	10	111.5357	0.278	12	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	111.5633	0.510	7	111.6256	0.191	10	111.5357	0.278	12	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	111.8035	0.252	2	111.6256	0.191	10	111.5357	0.278	12	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	110.4330	0.000	1	110.4330	0.000	1	111.5357	0.278	12	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	111.7390	0.000	1	111.7390	0.000	1	111.5357	0.278	12	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	112.4040	0.000	1	112.4040	0.000	1	112.4040	0.000	1	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	113.7385	0.636	2	113.7385	0.404	2	113.7385	0.404	2	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	112.2182	1.319	18	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	112.4990	0.265	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.4990	0.265	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	112.6500	0.000	1	112.6500	0.000	1	112.6500	0.000	1	112.4990	0.265	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	112.4990	0.265	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	112.2747	0.909	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	112.8250	0.004	2	112.8250	0.000	2	112.8250	0.000	2	112.2747	0.909	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	111.5790	0.000	1	111.5790	0.000	1	111.5790	0.000	1	112.4183	0.378	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.5200	0.075	2	112.5200	0.006	2	112.5200	0.006	2	112.4183	0.378	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	112.4183	0.378	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	111.2835	0.653	2	111.1983	0.156	4	111.1983	0.156	4	111.1983	0.156	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	111.1130	0.110	2	111.1983	0.156	4	111.1983	0.156	4	111.1983	0.156	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	110.9470	0.000	1	110.9470	0.000	1	111.0360	0.016	2	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.1250	0.000	1	111.1250	0.000	1	111.0360	0.016	2	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	110.7110	0.000	1	110.7110	0.000	1	111.6230	1.010	5	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	111.1450	0.314	2	111.1450	0.099	2	111.6230	1.010	5	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	112.5570	0.953	2	112.5570	0.909	2	111.6230	1.010	5	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	114.8035	2.060	2	114.8035	4.243	2	114.8035	4.243	2	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	113.0103	2.398	3	113.0103	5.751	3	113.0103	5.751	3	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]BrH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	112.4257	3.091	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	113.4980	0.530	2	113.4980	0.281	2	113.4980	0.281	2	113.4980	0.281	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	109.3680	0.238	3	109.3680	0.057	3	109.3680	0.057	3	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[4,6]N[5]H)(C[5,6]C[5]C[6]H)(Br)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	109.2040	0.000	1	109.2040	0.000	1	109.5873	0.153	3	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|C<4>,7|H<1>}	109.5710	0.000	1	109.7790	0.087	2	109.5873	0.153	3	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6,6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(H)2{2|C<4>,7|H<1>}	109.9870	0.000	1	109.7790	0.087	2	109.5873	0.153	3	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	109.0780	0.000	1	109.0780	0.000	1	109.8603	2.123	4	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	112.0410	0.000	1	112.0410	0.000	1	109.8603	2.123	4	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]N[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,8|H<1>}	109.1610	0.151	2	109.1610	0.023	2	109.8603	2.123	4	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|O<1>,3|C<4>,4|H<1>}	108.8910	0.000	1	109.0083	1.201	3	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	110.1580	0.000	1	109.0083	1.201	3	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{4|C<4>,8|H<1>}	107.9760	0.000	1	109.0083	1.201	3	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|C<4>,7|H<1>}	107.6750	0.269	3	108.0025	0.477	4	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{2|O<2>,4|C<4>,6|H<1>}	108.9850	0.000	1	108.0025	0.477	4	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,3|O<2>,5|C<4>}	108.9280	0.006	2	108.9280	0.000	2	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	109.0247	0.226	3	109.0247	0.051	3	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(H)2{3|H<1>,7|C<4>}	107.5420	0.000	1	107.5420	0.000	1	108.5775	0.644	13	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]N[5]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(Br)(H){1|O<2>,2|C<4>,5|H<1>}	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.2320	0.480	5	108.2320	0.230	5	107.7893	7.606	10	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,7|H<1>}	100.2790	0.000	1	100.2790	0.000	1	107.7893	7.606	10	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	109.0925	0.276	2	109.0925	0.076	2	107.7893	7.606	10	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	107.8980	0.000	1	107.8980	0.000	1	107.7893	7.606	10	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)2{1|C<4>,1|N<2>,1|S<4>,4|H<1>}	110.3710	0.000	1	110.3710	0.000	1	107.7893	7.606	10	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:I-1:	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I)	C[5,6](C[5,6]C[5,6]HI)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(H)(I){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|O<2>,4|H<1>}	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<4>,7|H<1>}	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	108.8631	3.252	38	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	112.8170	0.000	1	112.2568	1.172	5	112.2568	1.172	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<4>}	112.1167	1.197	4	112.2568	1.172	5	112.2568	1.172	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5,6](C[5,5]C[5]2N[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	105.3130	0.000	1	105.3130	0.000	1	105.3130	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[4,5,6]HO)(C[5]C[4,5,6]ClH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	109.1847	0.303	3	109.1847	0.092	3	109.1847	0.092	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.6760	0.000	1	109.6760	0.000	1	109.6760	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	108.4700	0.779	2	108.4700	0.607	2	108.4853	0.304	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	108.5160	0.000	1	108.5160	0.000	1	108.4853	0.304	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	108.3410	0.000	1	108.3410	0.000	1	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	106.3612	0.926	5	106.4824	0.629	7	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	106.7855	0.296	2	106.4824	0.629	7	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.2670	0.000	1	107.9775	0.197	4	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.6360	0.346	2	107.9775	0.197	4	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]CO)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	108.3710	0.000	1	107.9775	0.197	4	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	105.2140	0.000	1	105.2140	0.000	1	106.9878	1.254	13	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	111.1980	0.000	1	111.7163	0.224	3	112.1966	0.545	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	111.8250	0.000	1	111.7163	0.224	3	112.1966	0.545	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	112.1260	0.000	1	111.7163	0.224	3	112.1966	0.545	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	112.9170	0.028	2	112.9170	0.001	2	112.1966	0.545	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	110.1130	0.000	1	110.1130	0.000	1	110.4603	0.115	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.6340	0.219	2	110.6340	0.048	2	110.4603	0.115	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,6|H<1>}	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HH)(C[5]O[5]CC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.5960	0.000	1	110.5960	0.000	1	111.9283	1.533	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	112.5945	0.636	2	112.5945	0.404	2	111.9283	1.533	3	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	106.3950	0.024	2	106.3950	0.001	2	106.6606	0.168	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6,6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	106.8377	0.467	3	106.8377	0.218	3	106.6606	0.168	5	109.1855	6.509	50	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	113.2320	0.000	1	113.2320	0.000	1	113.2320	0.000	1	113.2320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	C[5,6](C[5,6]C[6]N[5]C)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	112.3340	0.000	1	112.3340	0.000	1	112.3340	0.000	1	112.6660	0.587	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	113.5420	0.000	1	113.5420	0.000	1	112.8320	1.008	2	112.6660	0.587	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHO){1|O<1>,3|C<4>,4|H<1>}	112.1220	0.000	1	112.1220	0.000	1	112.8320	1.008	2	112.6660	0.587	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Pt<4>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]PtH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	114.7080	0.000	1	114.7080	0.000	1	114.4410	0.143	2	114.4044	2.871	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	114.1740	0.000	1	114.1740	0.000	1	114.4410	0.143	2	114.4044	2.871	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	114.3800	2.381	3	114.3800	5.668	3	114.3800	5.668	3	114.4044	2.871	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(Br){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]O[5]S)(H){1|C<4>,6|H<1>}	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	113.9200	0.419	2	113.9200	0.175	2	113.9200	0.175	2	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	110.3810	0.000	1	110.3810	0.000	1	111.3630	0.810	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	112.0850	0.000	1	112.0850	0.000	1	111.3630	0.810	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	110.8180	0.000	1	110.8180	0.000	1	111.3630	0.810	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	112.1680	0.000	1	112.1680	0.000	1	111.3630	0.810	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:Br-1:	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br)	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(C[5]C[5]O)(Br){1|C<3>,2|C<4>,6|H<1>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	110.6060	0.000	1	110.3655	0.116	2	111.6166	0.960	7	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	110.1250	0.000	1	110.3655	0.116	2	111.6166	0.960	7	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.6166	0.960	7	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	112.4403	0.459	3	112.4403	0.211	3	111.6166	0.960	7	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	111.7960	0.000	1	111.7960	0.000	1	111.6166	0.960	7	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|O<1>,1|W<7>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|O<1>,3|C<4>,3|H<1>}	112.3055	3.918	2	112.3055	15.351	2	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	114.4680	0.000	1	114.4680	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	110.9100	0.000	1	110.9100	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|N<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	113.0550	0.000	1	113.0550	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|F<1>,7|H<1>}	114.4620	0.000	1	114.4620	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	109.0420	0.000	1	109.0420	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	113.4330	0.000	1	113.9408	0.303	8	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	113.8550	0.000	1	113.9408	0.303	8	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.9360	0.000	1	113.9408	0.303	8	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	114.2604	0.289	5	113.9408	0.303	8	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	113.6865	1.421	2	113.6865	2.018	2	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	113.6490	0.000	1	111.4470	9.698	2	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<1>,6|H<1>}	109.2450	0.000	1	111.4470	9.698	2	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Os<6>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]Os)(H){1|C<4>,1|O<1>,6|H<1>}	113.7550	0.000	1	113.7550	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	113.5400	0.000	1	113.5400	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	112.1100	0.000	1	112.1100	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HS)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	112.8190	0.000	1	112.8190	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.8630	0.000	1	114.8630	0.000	1	113.1376	3.000	25	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	116.0270	0.000	1	116.0270	0.000	1	115.3565	0.305	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	115.1330	0.398	3	115.1330	0.158	3	115.3565	0.305	4	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	112.4790	0.000	1	112.4790	0.000	1	111.6620	1.335	2	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[6]N[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.8450	0.000	1	110.8450	0.000	1	111.6620	1.335	2	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|O<1>,2|C<4>,4|H<1>}	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	112.9947	3.475	54	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.3722	9.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	112.3722	9.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3,6]HH)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	112.3722	9.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	112.3722	9.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	113.6920	0.000	1	113.6920	0.000	1	113.5850	0.023	2	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	113.4780	0.000	1	113.4780	0.000	1	113.5850	0.023	2	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	114.3765	0.299	2	114.3765	0.089	2	114.4395	0.092	4	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	114.2110	0.000	1	114.2110	0.000	1	114.4395	0.092	4	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	114.7940	0.000	1	114.7940	0.000	1	114.4395	0.092	4	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	114.7680	0.000	1	114.3100	0.159	3	114.3100	0.159	3	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	114.0810	0.061	2	114.3100	0.159	3	114.3100	0.159	3	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	115.2900	0.000	1	115.2900	0.000	1	115.2900	0.000	1	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	112.1605	0.025	2	112.1605	0.001	2	111.8315	0.223	8	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	111.3965	0.397	2	111.7218	0.255	6	111.8315	0.223	8	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	111.8845	0.516	4	111.7218	0.255	6	111.8315	0.223	8	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	112.3400	0.000	1	111.6760	0.882	2	111.8110	0.496	3	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	111.0120	0.000	1	111.6760	0.882	2	111.8110	0.496	3	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	112.0810	0.000	1	112.0810	0.000	1	111.8110	0.496	3	113.0111	1.885	21	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|N<2>,5|C<4>,5|H<1>}	111.4160	0.007	2	111.4160	0.000	2	111.4160	0.000	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	113.8360	0.000	1	113.7154	3.007	5	113.2557	3.674	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	110.7730	0.000	1	113.7154	3.007	5	113.2557	3.674	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	114.9370	0.477	2	113.7154	3.007	5	113.2557	3.674	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	114.0940	0.000	1	113.7154	3.007	5	113.2557	3.674	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	110.9570	0.000	1	110.9570	0.000	1	113.2557	3.674	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	108.7638	0.620	4	108.7638	0.384	4	108.7638	0.384	4	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(H){2|C<3>,4|H<1>,5|C<4>}	114.0440	0.000	1	114.0440	0.000	1	115.4940	3.773	3	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,5|C<4>,6|H<1>}	116.2190	2.096	2	116.2190	4.393	2	115.4940	3.773	3	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	111.9013	0.254	3	111.9013	0.064	3	111.9013	0.064	3	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	109.9377	0.298	4	109.9377	0.089	4	110.1860	0.218	7	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	109.9650	0.000	1	109.9650	0.000	1	110.1860	0.218	7	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	110.7930	0.078	2	110.7930	0.006	2	110.1860	0.218	7	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	111.5980	0.000	1	112.6345	1.371	4	112.2415	1.282	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	114.1910	0.000	1	112.6345	1.371	4	112.2415	1.282	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|N<3>,4|C<4>,7|H<1>}	112.3745	0.694	2	112.6345	1.371	4	112.2415	1.282	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){5|C<4>,7|H<1>}	111.4555	0.665	2	111.4555	0.443	2	112.2415	1.282	6	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5,6]HH)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	114.2960	0.000	1	114.2960	0.000	1	111.1890	19.307	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	108.0820	0.000	1	108.0820	0.000	1	111.1890	19.307	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	C[5,6](C[5,6]C[5,6,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	109.5140	0.683	3	109.5140	0.466	3	109.5140	0.466	3	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	111.1090	0.000	1	111.1090	0.000	1	111.4270	0.613	4	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	110.6260	0.000	1	110.6260	0.000	1	111.4270	0.613	4	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]O[5]CO)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]2O[5])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	111.9865	0.685	2	111.9865	0.469	2	111.4270	0.613	4	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|Si<4>,1|N<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	113.1170	0.000	1	113.1170	0.000	1	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	110.9605	0.592	2	110.9605	0.350	2	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	109.9200	0.000	1	109.9200	0.000	1	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	110.5500	0.000	1	110.5500	0.000	1	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]CC)(H){1|C<3>,1|C<4>,5|H<1>}	109.2730	0.059	3	109.2730	0.003	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	111.8800	0.000	1	111.9333	0.018	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	111.8330	0.000	1	111.9333	0.018	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	112.0870	0.000	1	111.9333	0.018	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	111.4310	0.000	1	113.2060	5.201	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	115.7780	0.000	1	113.2060	5.201	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	112.4090	0.000	1	113.2060	5.201	3	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	113.2090	2.473	2	111.9398	4.193	4	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	110.6705	0.131	2	111.9398	4.193	4	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	114.4670	0.000	1	114.4670	0.000	1	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HN)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	112.0760	0.000	1	112.0760	0.000	1	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	113.0925	1.341	2	113.0925	1.799	2	111.7833	3.293	22	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	113.6714	0.953	7	113.6714	0.908	7	113.6714	0.908	7	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	111.7420	0.000	1	111.3760	0.268	2	112.2926	2.111	5	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	111.0100	0.000	1	111.3760	0.268	2	112.2926	2.111	5	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	111.8030	0.000	1	111.8030	0.000	1	112.2926	2.111	5	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){3|C<4>,7|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.2926	2.111	5	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	114.7880	0.000	1	114.7880	0.000	1	112.2926	2.111	5	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	110.7260	0.806	2	110.7260	0.650	2	110.7260	0.650	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:Br-1:	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br)	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(Br){2|C<4>,7|H<1>}	115.1230	0.000	1	115.1230	0.000	1	115.1230	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,3|C<4>,3|H<1>}	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	110.7200	0.369	2	110.7200	0.136	2	110.7200	0.136	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:P[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]B[5]C[6]H)(P[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(B[5]C[6a]2N[5])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	112.5575	0.442	4	112.5575	0.196	4	112.5575	0.196	4	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2{1|Ga<6>,1|N<4>,3|C<4>,3|H<1>}	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	109.7520	0.962	2	109.7520	0.925	2	109.7520	0.925	2	111.9065	3.559	97	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	C[5,6](C[5,5,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]CC)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	113.0980	0.000	1	113.0980	0.000	1	113.1100	0.508	3	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	113.8290	0.000	1	113.8290	0.000	1	113.1100	0.508	3	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	112.4030	0.000	1	112.4030	0.000	1	113.1100	0.508	3	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.9860	3.789	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.8550	0.056	5	112.6365	2.167	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	112.8475	0.272	4	112.8475	0.074	4	112.8550	0.056	5	112.6365	2.167	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	112.6365	2.167	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	110.7335	0.315	2	110.7335	0.099	2	110.7335	0.099	2	112.6365	2.167	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[3,6]C[5,5]C)(C[5]O[5]CH)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5]C[6,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<4>,8|H<1>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]2C)(C[5]C[5,5,6]HO)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	112.9740	1.305	2	112.9740	1.704	2	112.9740	1.704	2	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.1110	0.000	1	115.1110	0.000	1	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	109.9570	0.788	2	109.9570	0.620	2	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	112.2095	0.227	2	112.2095	0.052	2	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	113.1480	0.447	2	113.1480	0.200	2	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	114.2540	0.000	1	114.0457	0.221	3	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	113.9415	0.614	2	114.0457	0.221	3	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	114.5480	0.000	1	114.5480	0.000	1	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	113.7560	0.000	1	113.7560	0.000	1	113.0151	2.894	12	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	113.0430	0.000	1	113.0430	0.000	1	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	111.8980	0.902	6	111.6633	0.616	11	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	111.3816	0.584	5	111.6633	0.616	11	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	112.3590	0.000	1	112.3590	0.000	1	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	110.2030	0.000	1	111.2140	2.044	2	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	112.2250	0.000	1	111.2140	2.044	2	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	111.5045	0.448	2	111.5045	0.200	2	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	114.4630	0.000	1	114.4630	0.000	1	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	112.0350	0.000	1	112.0350	0.000	1	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	113.6180	0.000	1	113.6180	0.000	1	111.9626	1.119	20	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2{4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	113.4890	0.000	1	113.4890	0.000	1	112.3841	0.319	7	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	112.2000	0.314	6	112.2000	0.098	6	112.3841	0.319	7	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	112.3777	1.717	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:3:2:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	110.5075	0.118	2	110.5075	0.014	2	110.5075	0.014	2	110.5075	0.014	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	112.4180	0.000	1	112.2957	0.140	3	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.2345	0.507	2	112.2957	0.140	3	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.0017	1.601	3	112.0017	2.562	3	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	110.8455	2.022	2	110.8455	4.087	2	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	112.5030	0.000	1	112.5030	0.000	1	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	104.9650	1.261	3	104.9650	1.589	3	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	103.7895	0.500	2	104.0075	0.165	4	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	104.2255	0.233	2	104.0075	0.165	4	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	105.9920	0.000	1	105.5445	0.401	2	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	105.0970	0.000	1	105.5445	0.401	2	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	105.5090	0.000	1	105.5090	0.000	1	108.1373	14.596	19	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.6810	0.000	1	113.6810	0.000	1	113.6810	0.000	1	108.8407	15.805	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	110.5962	3.023	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	113.1830	0.000	1	113.1830	0.000	1	111.5900	5.075	2	110.5962	3.023	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]O[6]CH)(H){1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	109.9970	0.000	1	109.9970	0.000	1	111.5900	5.075	2	110.5962	3.023	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	111.1660	0.020	2	111.1660	0.000	2	111.1660	0.000	2	110.5962	3.023	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	110.5962	3.023	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,2|S<2>,4|H<1>}	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	112.8392	6.181	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|O<2>,6|H<1>}	112.5695	0.269	2	112.5695	0.073	2	112.5695	0.073	2	112.8392	6.181	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	112.8392	6.181	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)2(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	112.3460	1.398	3	112.3460	1.955	3	112.3460	1.955	3	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|H<1>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	111.3860	0.132	2	111.3860	0.017	2	111.3860	0.017	2	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	111.7900	0.000	1	111.7900	0.000	1	113.4782	1.363	5	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	113.9002	0.794	4	113.9002	0.630	4	113.4782	1.363	5	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	112.4210	0.221	2	112.4210	0.049	2	112.4210	0.049	2	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|H<1>,4|O<2>,5|C<4>}	109.4065	0.494	2	109.4065	0.244	2	109.4065	0.244	2	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	110.6055	0.422	2	110.6055	0.178	2	110.6055	0.178	2	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.6780	0.000	1	111.7103	0.887	3	111.7103	0.887	3	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,6|H<1>}	112.2265	0.419	2	111.7103	0.887	3	111.7103	0.887	3	112.0597	2.342	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	113.9340	0.000	1	113.9340	0.000	1	113.5485	0.297	2	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	113.1630	0.000	1	113.1630	0.000	1	113.5485	0.297	2	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	110.5605	3.272	2	110.5605	10.705	2	110.0694	1.353	21	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	109.8825	0.617	12	109.8825	0.380	12	110.0694	1.353	21	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.6060	0.000	1	109.6950	7.304	2	110.0694	1.353	21	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	107.7840	0.000	1	109.6950	7.304	2	110.0694	1.353	21	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	110.4712	0.847	5	110.4712	0.718	5	110.0694	1.353	21	110.3719	2.248	23	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:2:2:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	113.6695	0.190	2	113.6695	0.036	2	113.6695	0.036	2	113.6695	0.036	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	109.1290	0.549	2	109.1290	0.301	2	109.1290	0.301	2	110.1280	1.596	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.1280	1.596	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	110.1280	1.596	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C[6]H)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[5,6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]H)(CC[5]O)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	111.2678	0.739	4	111.2678	0.546	4	111.2678	0.546	4	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.6180	0.000	1	113.6180	0.000	1	114.4610	5.309	3	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	117.0680	0.000	1	117.0680	0.000	1	114.4610	5.309	3	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.6970	0.000	1	112.6970	0.000	1	114.4610	5.309	3	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	109.1820	0.305	2	109.1820	0.093	2	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	109.8660	0.000	1	109.8660	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.9800	0.000	1	110.9800	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.9600	0.000	1	108.9600	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	111.1320	0.000	1	111.6890	0.620	2	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	112.2460	0.000	1	111.6890	0.620	2	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	114.9305	0.008	2	114.9305	0.000	2	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	109.9830	0.000	1	109.9830	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.4190	0.000	1	110.4190	0.000	1	111.1493	4.244	12	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.1775	1.463	2	111.1775	2.140	2	111.1775	2.140	2	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	111.6756	4.247	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	115.3245	0.401	2	115.3245	0.161	2	114.5708	1.063	4	114.5708	1.063	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	113.8170	0.870	2	113.8170	0.756	2	114.5708	1.063	4	114.5708	1.063	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	110.6190	2.486	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	110.6190	2.486	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:2:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	111.5756	0.904	8	111.5756	0.817	8	111.5756	0.817	8	111.5756	0.817	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:3:3:	4:3:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	115.7160	0.000	1	114.2785	4.133	2	114.2785	4.133	2	114.2785	4.133	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CO)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	112.8410	0.000	1	114.2785	4.133	2	114.2785	4.133	2	114.2785	4.133	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	111.2050	0.000	2	111.2050	0.000	2	111.2050	0.000	2	111.2050	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[6]-4:C[5,6]-4:H-1:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[4,5,6,6]C[3,5]H)(C[5,6]C[3,5]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	108.7503	3.279	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	108.7503	3.279	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,1|S<4>,3|C<4>,7|H<1>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.7503	3.279	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	111.2340	0.000	1	111.7030	0.440	2	112.0433	0.567	3	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	112.1720	0.000	1	111.7030	0.440	2	112.0433	0.567	3	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	112.7240	0.000	1	112.7240	0.000	1	112.0433	0.567	3	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	107.3960	0.000	2	107.3960	0.000	2	107.3960	0.000	2	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.7935	0.681	2	109.7935	0.464	2	109.7935	0.464	2	110.0416	3.970	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[5,6]C[5,6]2H)(CCHH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	114.3710	0.000	1	114.6340	0.138	2	114.6340	0.138	2	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	114.8970	0.000	1	114.6340	0.138	2	114.6340	0.138	2	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,4|C<4>}	113.5550	0.740	2	113.5550	0.547	2	113.5550	0.547	2	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	112.5250	0.000	1	112.5250	0.000	1	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	112.5130	0.000	1	112.5130	0.000	1	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	111.1940	0.000	1	111.1940	0.000	1	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	112.4910	0.000	1	113.8705	3.806	2	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	115.2500	0.000	1	113.8705	3.806	2	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	113.3720	0.768	2	113.4823	0.819	6	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	113.7995	1.494	2	113.4823	0.819	6	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	112.5820	0.000	1	113.4823	0.819	6	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	113.9690	0.000	1	113.4823	0.819	6	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	109.6880	0.000	1	109.6880	0.000	1	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	113.1050	0.059	2	113.1050	0.004	2	112.9118	1.956	14	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(H){3|C<4>,4|H<1>}	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3]C[6]H)(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[3x4]C[6]H)(C[5]C[5]HH)(H){1|S<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	112.8970	3.361	22	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	112.3007	0.564	3	112.2533	0.221	4	112.2533	0.221	4	112.2533	0.221	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	112.1110	0.000	1	112.2533	0.221	4	112.2533	0.221	4	112.2533	0.221	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	113.8995	0.998	4	113.8995	0.995	4	113.8995	0.995	4	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	111.8780	0.000	1	111.8780	0.000	1	113.2610	3.825	2	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	114.6440	0.000	1	114.6440	0.000	1	113.2610	3.825	2	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]BrC)(C[5]O[5]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]CH)(H){1|Br<1>,2|C<4>,4|H<1>}	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	114.0668	3.908	10	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	114.7135	0.553	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	115.0837	0.089	3	115.0837	0.008	3	115.0837	0.008	3	114.7135	0.553	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	112.8860	0.000	1	112.8860	0.000	1	113.3625	0.454	2	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	113.8390	0.000	1	113.8390	0.000	1	113.3625	0.454	2	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	113.9730	1.360	2	113.3377	2.136	3	113.3377	2.136	3	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	112.0670	0.000	1	113.3377	2.136	3	113.3377	2.136	3	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|S<4>,2|C<4>,6|H<1>}	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.0021	2.150	8	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	107.8780	0.000	1	107.8780	0.000	1	107.8195	0.007	2	109.3167	3.510	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|O<2>,4|H<1>,7|C<4>}	107.7610	0.000	1	107.7610	0.000	1	107.8195	0.007	2	109.3167	3.510	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.3167	3.510	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	109.3167	3.510	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	115.6090	0.000	1	115.6090	0.000	1	115.0197	0.759	3	114.5140	1.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	115.4310	0.000	1	115.4310	0.000	1	115.0197	0.759	3	114.5140	1.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,3|H<1>}	114.0190	0.000	1	114.0190	0.000	1	115.0197	0.759	3	114.5140	1.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	112.9970	0.000	1	112.9970	0.000	1	112.9970	0.000	1	114.5140	1.529	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	116.7665	0.385	2	116.7665	0.149	2	116.7665	0.149	2	116.7665	0.149	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	114.3970	0.000	1	114.3970	0.000	1	114.3970	0.000	1	115.3678	1.958	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.5950	0.000	1	114.5950	0.000	1	115.6913	2.309	3	115.3678	1.958	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.0530	0.000	1	116.2395	2.816	2	115.6913	2.309	3	115.3678	1.958	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:3:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	117.4260	0.000	1	116.2395	2.816	2	115.6913	2.309	3	115.3678	1.958	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.2115	0.207	2	115.2115	0.043	2	115.2115	0.043	2	115.2115	0.043	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.9525	1.085	2	116.9525	1.178	2	116.9525	1.178	2	117.2463	0.801	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	118.2030	0.000	1	118.2030	0.000	1	117.5400	0.879	2	117.2463	0.801	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	116.8770	0.000	1	116.8770	0.000	1	117.5400	0.879	2	117.2463	0.801	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:3:2:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|P<4>,4|H<1>,7|C<4>}	108.9885	0.646	2	108.9885	0.417	2	108.9885	0.417	2	108.9885	0.417	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C[5,6](C[5,6]C[6]O[5]C)(C[5]B[5]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	111.7150	0.000	1	111.4053	0.925	3	111.4676	0.470	5	111.3632	0.441	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	111.2505	1.306	2	111.4053	0.925	3	111.4676	0.470	5	111.3632	0.441	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	111.5840	0.000	1	111.5610	0.001	2	111.4676	0.470	5	111.3632	0.441	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	111.5380	0.000	1	111.5610	0.001	2	111.4676	0.470	5	111.3632	0.441	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	111.3632	0.441	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CC[5]C){1|C<3>,3|C<4>,3|H<1>}	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	116.9240	0.000	1	116.9240	0.000	1	117.0910	0.056	2	117.0910	0.056	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	117.2580	0.000	1	117.2580	0.000	1	117.0910	0.056	2	117.0910	0.056	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	115.4000	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	117.0530	0.000	1	117.2835	0.106	2	117.2835	0.106	2	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	117.5140	0.000	1	117.2835	0.106	2	117.2835	0.106	2	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	118.2895	0.689	2	118.2895	0.475	2	118.3150	0.240	3	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	118.3660	0.000	1	118.3660	0.000	1	118.3150	0.240	3	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	117.1450	0.758	2	117.1450	0.575	2	116.1480	4.073	6	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	113.6565	0.267	2	113.6565	0.071	2	116.1480	4.073	6	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	116.9900	0.000	1	116.9900	0.000	1	116.1480	4.073	6	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	118.2950	0.000	1	118.2950	0.000	1	116.1480	4.073	6	116.9865	2.804	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	3:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	3:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	3:4:4:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	112.2140	0.127	2	112.2140	0.016	2	112.2140	0.016	2	112.2140	0.016	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	3:4:4:4:	3:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5a,6]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	116.5815	0.445	2	116.5815	0.198	2	116.5815	0.198	2	116.5815	0.198	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	108.2340	0.000	1	108.2340	0.000	1	108.2466	0.323	7	108.2466	0.323	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	107.8830	0.786	2	107.8830	0.618	2	108.2466	0.323	7	108.2466	0.323	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	108.4315	0.553	4	108.4315	0.305	4	108.2466	0.323	7	108.2466	0.323	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:O[6]-2:H-1:H-1:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	111.0805	0.441	2	111.0805	0.194	2	111.0805	0.194	2	111.0805	0.194	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	112.4770	2.407	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	112.4770	2.407	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	109.6420	0.257	2	109.6420	0.066	2	109.6420	0.066	2	109.6420	0.066	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	112.5237	1.752	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	112.5237	1.752	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	112.5237	1.752	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	113.0415	0.240	2	113.0415	0.057	2	113.0415	0.057	2	113.0415	0.057	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3x5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:C-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CC)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,5|H<1>}	112.0460	0.202	2	112.0460	0.041	2	112.0460	0.041	2	112.0460	0.041	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:3:4:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]O)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(H)2{3|C<4>,6|H<1>}	108.8847	0.108	3	108.8847	0.012	3	108.8847	0.012	3	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|F<1>,4|C<4>,6|H<1>}	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.5970	0.962	2	108.6173	0.240	7	108.9599	0.501	11	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.2250	0.000	1	108.6173	0.240	7	108.9599	0.501	11	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	108.4755	0.147	4	108.6173	0.240	7	108.9599	0.501	11	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	109.7900	1.048	2	109.7900	1.098	2	108.9599	0.501	11	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	109.3290	0.000	2	109.3290	0.000	2	108.9599	0.501	11	109.0940	0.584	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	111.7453	0.342	3	111.7453	0.117	3	111.7453	0.117	3	110.5150	6.133	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	110.5150	6.133	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	108.4865	0.081	2	108.4865	0.007	2	109.8730	6.458	4	109.8730	6.458	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	111.2595	3.417	2	111.2595	11.679	2	109.8730	6.458	4	109.8730	6.458	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	111.1658	4.265	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.1658	4.265	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	111.1658	4.265	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,6|H<1>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	111.1658	4.265	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:S-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a])	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(SC[6a]){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.1658	4.265	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	109.3720	0.190	2	109.3720	0.036	2	109.3720	0.036	2	109.3720	0.036	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	113.9110	0.000	1	113.9110	0.000	1	112.1400	6.273	2	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.3690	0.000	1	110.3690	0.000	1	112.1400	6.273	2	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	111.8790	0.000	1	111.6000	0.156	2	112.0416	0.207	5	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	111.3210	0.000	1	111.6000	0.156	2	112.0416	0.207	5	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	112.2170	0.000	1	112.2170	0.000	1	112.0416	0.207	5	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.3955	0.009	2	112.3955	0.000	2	112.0416	0.207	5	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.0010	0.000	1	111.0010	0.000	1	110.9583	0.054	3	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	110.9370	0.325	2	110.9370	0.106	2	110.9583	0.054	3	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]P[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	111.7817	1.004	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	109.9487	2.841	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	110.7940	1.181	2	110.7940	1.394	2	110.7940	1.394	2	109.9487	2.841	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	109.6643	0.018	3	109.9972	0.444	4	109.9972	0.444	4	109.9972	0.444	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	110.9960	0.000	1	109.9972	0.444	4	109.9972	0.444	4	109.9972	0.444	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	110.3830	0.000	1	110.3830	0.000	1	110.4053	0.562	7	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	110.7755	1.715	2	110.7755	2.940	2	110.4053	0.562	7	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	110.2593	0.081	3	110.2258	0.009	4	110.4053	0.562	7	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	110.1250	0.000	1	110.2258	0.009	4	110.4053	0.562	7	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	113.7440	0.000	1	113.7440	0.000	1	113.7440	0.000	1	110.5977	2.096	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	113.0450	0.000	1	112.2760	0.487	3	112.2760	0.487	3	112.2760	0.487	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	111.8915	0.293	2	112.2760	0.487	3	112.2760	0.487	3	112.2760	0.487	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[3]C[6]H)(C[5]C[5]H)(CCO){2|O<2>,4|C<4>,5|H<1>}	108.6550	1.490	6	108.6550	2.220	6	108.6550	2.220	6	108.6550	2.220	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	110.7090	0.000	1	110.7090	0.000	1	114.3070	25.891	2	111.6050	12.613	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6]O[5]H)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,4|H<1>}	117.9050	0.000	1	117.9050	0.000	1	114.3070	25.891	2	111.6050	12.613	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HS)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	111.6050	12.613	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[4,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	111.6050	12.613	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){2|O<2>,5|H<1>,6|C<4>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	111.6050	12.613	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	110.8310	0.788	2	110.8310	0.620	2	110.8310	0.620	2	111.0507	0.455	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	111.0507	0.455	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	110.0560	0.000	1	110.0560	0.000	1	110.2728	0.068	4	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	110.1680	0.000	1	110.1680	0.000	1	110.2728	0.068	4	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.2728	0.068	4	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	110.6510	0.000	1	110.6510	0.000	1	110.2728	0.068	4	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	108.9660	0.477	2	108.9660	0.227	2	108.0119	1.186	7	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	107.6302	1.042	5	107.6302	1.085	5	108.0119	1.186	7	108.8340	2.033	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:2:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:3:2:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]O)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	111.3000	0.355	2	111.3000	0.126	2	111.3000	0.126	2	111.3000	0.126	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	3:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	113.1785	4.110	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	3:4:2:1:	4:3:4:1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	113.1785	4.110	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	3:4:2:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,5|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	109.0870	0.000	1	108.7673	0.319	3	108.7673	0.319	3	108.6585	1.812	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	108.6075	0.697	2	108.7673	0.319	3	108.7673	0.319	3	108.6585	1.812	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	108.5497	2.043	3	108.5497	4.175	3	108.5497	4.175	3	108.6585	1.812	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	107.4800	0.000	1	107.4800	0.000	1	108.7478	1.161	11	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	108.3475	0.241	2	108.3475	0.058	2	108.7478	1.161	11	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	108.2188	0.390	5	108.2188	0.152	5	108.7478	1.161	11	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	110.3190	0.322	3	110.3190	0.104	3	108.7478	1.161	11	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	110.2680	0.000	1	110.2680	0.000	1	110.6310	0.105	3	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	110.8125	0.111	2	110.8125	0.012	2	110.6310	0.105	3	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	109.3105	0.603	2	109.3105	0.364	2	109.3105	0.364	2	109.1713	1.372	16	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:2:4:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[4]C[6]N[5])(C[6]C[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:B[5]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2)	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(B[5]O[5]2){2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	112.8110	13.823	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]N[5,6]HH)(NOO){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	112.8110	13.823	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	107.7707	4.396	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	106.7387	0.450	3	106.7387	0.202	3	106.7387	0.202	3	107.7707	4.396	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	110.2252	0.427	4	110.2252	0.182	4	110.2252	0.182	4	109.9578	0.495	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	109.9578	0.495	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	108.0950	0.000	1	108.0950	0.000	1	110.1185	8.189	2	111.4497	9.503	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	112.1420	0.000	1	112.1420	0.000	1	110.1185	8.189	2	111.4497	9.503	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	112.7810	3.637	2	112.7810	13.230	2	112.7810	13.230	2	111.4497	9.503	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:3:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:3:4:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:2:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H){1|O<1>,3|C<4>,7|H<1>}	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:S-2:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC){1|C<3>,2|C<4>,5|H<1>}	111.3520	1.598	3	111.3520	2.555	3	111.3520	2.555	3	111.3520	2.555	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.4005	0.227	2	107.0530	0.388	3	107.0530	0.388	3	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	106.3580	0.000	1	107.0530	0.388	3	107.0530	0.388	3	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(CNO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.3710	0.000	1	107.3710	0.000	1	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){1|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	108.0180	0.000	1	107.8575	0.052	2	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[3]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.6970	0.000	1	107.8575	0.052	2	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[4]2O[5])(C[6]C[6]HH)(COO){4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	106.6960	0.000	1	106.6960	0.000	1	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CCO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.8400	0.000	1	107.8400	0.000	1	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(CNO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.0847	0.365	11	107.0847	0.133	11	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	107.3955	0.305	2	107.9060	1.749	10	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.7380	0.000	1	107.9060	1.749	10	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<2>,4|H<1>}	109.3330	0.503	2	107.9060	1.749	10	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	108.9890	0.000	1	107.9060	1.749	10	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CC)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(H)2{3|C<4>,4|H<1>}	106.9690	1.344	4	107.9060	1.749	10	107.4852	0.868	26	107.4404	0.820	29	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,7|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	108.6825	1.653	2	108.6825	2.731	2	108.6825	2.731	2	110.2813	2.364	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCH){1|C<2>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	110.9130	0.000	1	110.9130	0.000	1	111.0807	0.473	4	110.2813	2.364	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]O[5]O)(H){1|C<4>,6|H<1>}	111.1367	0.831	3	111.1367	0.691	3	111.0807	0.473	4	110.2813	2.364	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	110.8180	0.086	2	110.8180	0.007	2	110.8180	0.007	2	111.2932	0.314	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	112.0400	0.000	1	112.0400	0.000	1	111.6100	0.249	3	111.2932	0.314	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	111.7270	0.000	1	111.7270	0.000	1	111.6100	0.249	3	111.2932	0.314	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	111.0630	0.000	1	111.0630	0.000	1	111.6100	0.249	3	111.2932	0.314	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5,6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){2|S<2>,4|C<4>,4|H<1>}	109.6205	0.202	4	109.6205	0.041	4	110.2618	2.087	5	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(CHN){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]O[5,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	112.8270	0.000	1	112.8270	0.000	1	110.2618	2.087	5	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	106.1387	0.262	3	106.1387	0.069	3	107.7386	4.009	7	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){4|C<4>,5|H<1>}	106.9430	0.000	1	106.9430	0.000	1	107.7386	4.009	7	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.9050	0.000	1	107.9050	0.000	1	107.7386	4.009	7	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	110.4530	0.918	2	110.4530	0.842	2	107.7386	4.009	7	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	107.4090	0.000	1	107.4090	0.000	1	108.7208	1.387	5	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	109.9565	0.156	2	109.9565	0.024	2	108.7208	1.387	5	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	108.1410	0.274	2	108.1410	0.075	2	108.7208	1.387	5	108.7696	3.534	17	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.6010	0.143	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.6010	0.143	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	113.9820	0.195	2	113.9820	0.038	2	113.9820	0.038	2	113.9820	0.038	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.6805	0.035	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.6805	0.035	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.6170	0.000	1	113.6170	0.000	1	113.6170	0.000	1	113.6170	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	113.1720	0.502	2	113.1720	0.252	2	113.1720	0.252	2	113.1720	0.252	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:3:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	111.8633	0.310	3	111.8633	0.096	3	111.8633	0.096	3	111.8633	0.096	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	110.7830	0.233	2	110.7830	0.054	2	109.1857	7.682	3	109.1857	7.682	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	3:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	105.9910	0.000	1	105.9910	0.000	1	109.1857	7.682	3	109.1857	7.682	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	3:4:1:1:	4:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	113.5600	0.578	2	113.5600	0.335	2	113.5600	0.335	2	113.5600	0.335	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	3:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	105.4900	0.000	1	105.4900	0.000	1	105.4900	0.000	1	105.4900	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:1:1:	4:4:4:2:	C[3x5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:2:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{2|O<2>,7|H<1>}	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	103.4060	0.000	1	105.4193	3.179	3	105.6065	2.259	4	105.6065	2.259	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	106.4260	0.526	2	105.4193	3.179	3	105.6065	2.259	4	105.6065	2.259	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	106.1680	0.000	1	106.1680	0.000	1	105.6065	2.259	4	105.6065	2.259	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:2:4:2:	4:3:2:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	103.3260	0.000	1	103.3260	0.000	1	103.3260	0.000	1	103.3260	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	103.0560	0.000	1	103.0560	0.000	1	103.0560	0.000	1	103.0560	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:3:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.6690	0.269	2	107.6690	0.072	2	107.6020	0.069	5	107.6020	0.069	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	107.7150	0.195	2	107.7150	0.038	2	107.6020	0.069	5	107.6020	0.069	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	107.2420	0.000	1	107.2420	0.000	1	107.6020	0.069	5	107.6020	0.069	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:3:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	107.7802	0.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	108.1800	0.471	2	108.1800	0.222	2	108.1800	0.222	2	107.7802	0.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.7802	0.306	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8133	7.041	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.8770	0.000	1	106.6900	0.070	2	106.6900	0.070	2	108.8133	7.041	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	106.5030	0.000	1	106.6900	0.070	2	106.6900	0.070	2	108.8133	7.041	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	112.0400	0.402	2	112.0400	0.161	2	112.0400	0.161	2	108.8133	7.041	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){2|C<3>,2|C<4>,8|H<1>}	106.5480	0.000	1	106.5480	0.000	1	106.5480	0.000	1	108.8133	7.041	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	108.7840	0.000	1	108.9890	0.292	4	108.9890	0.292	4	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.0573	0.640	3	108.9890	0.292	4	108.9890	0.292	4	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	108.6074	0.349	5	108.6074	0.122	5	108.6074	0.122	5	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|H<1>,6|C<4>}	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,8|H<1>}	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<3>,4|C<4>,6|H<1>}	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	109.3930	0.000	2	109.3930	0.000	2	108.7727	1.154	3	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,7|H<1>}	107.5320	0.000	1	107.5320	0.000	1	108.7727	1.154	3	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.2230	0.000	1	110.7080	4.750	3	109.9613	5.397	4	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,6|H<1>}	109.4505	0.110	2	110.7080	4.750	3	109.9613	5.397	4	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	107.7210	0.000	1	107.7210	0.000	1	109.9613	5.397	4	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.6145	0.104	2	106.6145	0.011	2	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	108.3740	0.000	1	108.6367	0.071	4	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	108.4630	0.000	1	108.6367	0.071	4	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|F<1>,2|C<3>,3|C<4>,6|H<1>}	108.8550	0.132	2	108.6367	0.071	4	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	108.3010	0.000	1	108.2200	0.013	2	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.1390	0.000	1	108.2200	0.013	2	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.5470	0.000	1	108.0797	0.390	6	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	108.3240	0.690	3	108.0797	0.390	6	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	107.9795	0.716	2	108.0797	0.390	6	108.0496	0.596	14	108.6566	1.484	36	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	107.6965	0.211	2	107.6965	0.045	2	107.6965	0.045	2	108.3440	1.280	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	108.3440	1.280	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.0850	0.000	1	108.0850	0.000	1	108.2605	0.062	2	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.2605	0.062	2	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.6248	0.289	6	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	109.3055	0.107	2	108.6688	0.347	5	108.6248	0.289	6	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	108.2443	0.109	3	108.6688	0.347	5	108.6248	0.289	6	108.5038	0.221	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	106.8480	0.000	1	106.8480	0.000	1	106.8480	0.000	1	106.8480	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)2(CCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:3:2:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	115.4050	0.651	2	114.3423	1.661	4	114.3423	1.661	4	114.3423	1.661	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CC)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>}	113.2795	0.209	2	114.3423	1.661	4	114.3423	1.661	4	114.3423	1.661	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:2:2:	4:3:4:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2{1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|C<2>,7|H<1>}	105.9370	0.000	1	105.9370	0.000	1	105.9370	0.000	1	105.9370	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:3:2:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:3:4:4:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	109.0455	0.059	2	109.0455	0.003	2	109.8660	1.053	4	109.3797	1.203	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	110.6865	0.681	2	110.6865	0.464	2	109.8660	1.053	4	109.3797	1.203	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	108.4070	0.120	2	108.4070	0.014	2	108.4070	0.014	2	109.3797	1.203	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:3:4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	106.2860	0.000	1	106.2860	0.000	1	107.0075	1.041	2	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	107.7290	0.000	1	107.7290	0.000	1	107.0075	1.041	2	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.0230	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	106.6980	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	106.5680	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	106.2040	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	107.5720	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	107.0260	0.000	1	106.6818	0.317	6	106.6818	0.317	6	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,7|H<1>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	106.9797	0.770	9	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	107.4350	0.266	5	107.4350	0.071	5	107.6110	0.242	6	107.6110	0.242	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	108.4910	0.000	1	108.4910	0.000	1	107.6110	0.242	6	107.6110	0.242	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	110.0110	0.000	1	108.9504	1.904	5	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	106.5660	0.000	1	108.9504	1.904	5	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	109.3975	0.470	2	108.9504	1.904	5	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	109.3800	0.000	1	108.9504	1.904	5	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	107.6740	0.000	1	107.6740	0.000	1	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	109.4870	0.000	1	108.2565	1.120	17	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	107.5053	0.473	10	108.2565	1.120	17	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	109.3035	0.659	6	108.2565	1.120	17	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	107.2220	0.000	1	107.2220	0.000	1	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	109.4260	0.000	1	109.5670	0.040	2	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	109.7080	0.000	1	109.5670	0.040	2	108.4286	1.282	26	108.4286	1.282	26	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:2:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	106.3547	5.637	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	106.3547	5.637	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	105.0360	0.576	2	105.0360	0.331	2	105.0360	0.331	2	106.3547	5.637	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3,5]C[6,6]C[6])(C[5,6]C[3,5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	107.8822	0.212	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	108.6750	0.000	1	108.6750	0.000	1	108.1980	0.455	2	107.8822	0.212	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(H)2{4|C<4>,6|H<1>}	107.7210	0.000	1	107.7210	0.000	1	108.1980	0.455	2	107.8822	0.212	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	107.6005	0.179	2	107.6005	0.032	2	107.6005	0.032	2	107.8822	0.212	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|I<1>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.7138	1.800	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	111.8567	1.438	3	111.8567	2.067	3	111.7721	1.959	10	111.7138	1.800	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	110.0430	0.103	2	110.0430	0.011	2	111.7721	1.959	10	111.7138	1.800	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	112.4130	1.165	5	112.4130	1.357	5	111.7721	1.959	10	111.7138	1.800	11	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.8475	4.967	2	110.8475	24.675	2	110.8475	24.675	2	110.8475	24.675	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	107.6710	0.000	1	107.6710	0.000	1	108.4135	1.103	2	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|O<2>,4|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	109.1560	0.000	1	109.1560	0.000	1	108.4135	1.103	2	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H)	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)2(CCH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5,6]O)(H){2|C<3>,5|C<4>,5|H<1>}	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(C[6]C[6]HH){1|S<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCH)(H){1|C<4>,6|H<1>}	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	110.8005	0.139	2	110.5950	0.136	3	109.6332	1.803	5	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	110.1840	0.000	1	110.5950	0.136	3	109.6332	1.803	5	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	108.1905	0.028	2	108.1905	0.001	2	109.6332	1.803	5	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	107.4302	0.708	9	107.5622	0.568	14	107.4931	0.528	16	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	106.8900	0.314	2	107.5622	0.568	14	107.4931	0.528	16	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	108.4063	0.200	3	107.5622	0.568	14	107.4931	0.528	16	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	107.0095	0.042	2	107.0095	0.002	2	107.4931	0.528	16	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]O)(H){2|C<4>,7|H<1>}	106.4439	0.453	11	106.4439	0.205	11	107.5495	7.468	13	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	113.6305	0.407	2	113.6305	0.165	2	107.5495	7.468	13	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|O<2>,4|C<4>,7|H<1>}	108.1140	0.000	1	108.1140	0.000	1	110.3955	3.968	8	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	110.0690	0.000	1	110.0690	0.000	1	110.3955	3.968	8	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	110.4110	0.000	1	110.4110	0.000	1	110.3955	3.968	8	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]2)(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|O<2>,3|C<4>,9|H<1>}	110.9140	2.298	5	110.9140	5.280	5	110.3955	3.968	8	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	110.5295	0.056	2	110.5295	0.003	2	110.5295	0.003	2	108.4532	4.293	51	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	110.8447	2.139	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.8447	2.139	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	110.8447	2.139	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|C<4>,6|H<1>}	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	106.6780	0.000	1	106.6780	0.000	1	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.2997	0.645	3	107.2946	0.217	5	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.2870	0.188	2	107.2946	0.217	5	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.9380	0.000	1	106.9380	0.000	1	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	106.6320	0.499	4	106.6320	0.249	4	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,9|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	112.3320	0.000	1	112.3320	0.000	1	107.4124	2.644	12	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[4,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){3|C<4>,9|H<1>}	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[4,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.8500	1.599	2	108.8500	2.558	2	108.8500	2.558	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|O<2>,4|C<4>,8|H<1>}	107.6520	0.558	3	107.6520	0.311	3	107.6520	0.311	3	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.3910	0.000	1	109.3910	0.000	1	108.5630	0.532	3	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	108.2840	0.000	1	108.2840	0.000	1	108.5630	0.532	3	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,3|O<2>,4|H<1>}	108.0140	0.000	1	108.0140	0.000	1	108.5630	0.532	3	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	108.0690	0.000	1	107.5197	0.462	34	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.9810	0.000	1	107.5197	0.462	34	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.0733	0.712	11	107.5197	0.462	34	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.7055	0.581	21	107.5197	0.462	34	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	107.5820	0.000	1	108.0086	0.412	5	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	108.1153	0.688	4	108.0086	0.412	5	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	109.9010	0.000	1	109.9010	0.000	1	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	107.8130	0.000	1	107.8130	0.000	1	107.6446	0.580	41	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	107.6870	1.240	2	107.6870	1.538	2	107.6870	1.538	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6,6]O[5]O)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	105.9040	0.000	1	105.6585	0.121	2	105.6585	0.121	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,2|C<4>,3|O<2>,7|H<1>}	105.4130	0.000	1	105.6585	0.121	2	105.6585	0.121	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.5180	0.000	1	107.5180	0.000	1	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.6440	0.211	2	108.8238	0.263	10	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,1|S<2>,4|C<4>,6|H<1>}	108.7652	0.606	5	108.8238	0.263	10	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	108.4080	0.000	1	108.8238	0.263	10	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.3580	0.153	2	108.8238	0.263	10	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	109.1820	0.088	2	108.6018	0.413	5	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	108.2150	0.512	3	108.6018	0.413	5	108.6728	0.374	16	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	108.3490	0.000	1	108.3860	0.003	2	108.3860	0.003	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]CC)(H){1|F<1>,1|O<2>,3|C<4>,7|H<1>}	108.4230	0.000	1	108.3860	0.003	2	108.3860	0.003	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	108.2230	0.511	2	108.2230	0.261	2	108.1469	0.603	8	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	107.1855	0.534	2	107.8020	1.283	3	108.1469	0.603	8	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	109.0350	0.000	1	107.8020	1.283	3	108.1469	0.603	8	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.1160	0.000	1	108.1160	0.000	1	108.1469	0.603	8	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.6035	0.781	2	108.6035	0.611	2	108.1469	0.603	8	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.4892	0.546	6	107.4892	0.298	6	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.7720	0.000	1	107.7720	0.000	1	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	108.7160	0.000	1	108.7160	0.000	1	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	107.1290	0.000	1	107.1290	0.000	1	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.6310	0.000	1	107.6310	0.000	1	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.6525	0.318	11	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(H){4|C<4>,6|H<1>}	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	108.0745	0.134	2	108.0745	0.018	2	108.0745	0.018	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]C)(C[6]C[6]CC)(H){4|C<4>,7|H<1>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	108.3180	0.000	1	108.3180	0.000	1	108.7811	0.303	9	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	109.6420	0.000	1	109.6420	0.000	1	108.7811	0.303	9	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	108.8790	0.916	2	108.8790	0.840	2	108.7811	0.303	9	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,1|S<3>,2|O<2>,6|H<1>}	108.6624	0.367	5	108.6624	0.134	5	108.7811	0.303	9	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	107.2860	0.000	1	107.2860	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,6|H<1>}	106.5030	0.000	1	106.5030	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|O<1>,3|C<4>,4|H<1>}	108.4185	0.837	2	108.2217	0.466	3	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,7|H<1>}	107.8280	0.000	1	108.2217	0.466	3	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,5|H<1>}	106.9750	0.000	1	106.9750	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	107.2895	0.122	2	107.2895	0.015	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	105.4330	0.000	1	106.6025	2.735	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	107.7720	0.000	1	106.6025	2.735	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){4|C<4>,5|H<1>}	107.9780	0.000	1	108.4200	0.391	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	108.8620	0.000	1	108.4200	0.391	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	107.9005	0.787	2	107.9005	0.619	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	113.8770	0.000	1	113.8770	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.2210	0.837	2	108.2210	0.701	2	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	108.7590	0.000	1	108.7590	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	109.5190	0.000	1	109.5190	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	109.1710	0.000	1	109.1710	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	109.0940	0.000	1	109.0940	0.000	1	108.2246	2.683	21	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.0000	0.000	1	108.0000	0.000	1	108.0875	0.015	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.1750	0.000	1	108.1750	0.000	1	108.0875	0.015	2	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.0390	0.000	1	108.0390	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	106.9500	0.281	2	107.1333	0.140	3	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	107.5000	0.000	1	107.1333	0.140	3	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,3|C<4>,7|H<1>}	109.7220	0.000	1	109.7220	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	107.4890	0.000	1	107.4890	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.1240	0.000	1	107.1240	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	107.5840	0.800	2	107.6827	0.227	4	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	107.7815	0.008	2	107.6827	0.227	4	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	107.4967	0.155	4	107.4967	0.024	4	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	108.2200	0.000	1	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	107.1775	1.078	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	106.5350	0.000	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	106.5317	0.154	3	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	107.0735	0.063	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	107.3360	0.000	1	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.1127	0.856	3	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	106.7095	0.193	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,8|H<1>}	107.7825	0.282	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	107.8109	0.765	19	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	107.2507	0.482	12	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	105.7322	0.196	4	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	106.1580	0.638	71	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.5305	0.248	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,5|C<4>,6|H<1>}	107.1765	0.108	2	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	106.5991	0.606	71	106.6209	0.658	199	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	108.7895	1.128	2	108.7895	1.272	2	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	107.3270	0.416	2	106.9538	0.504	5	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,8|H<1>}	106.4630	1.014	2	106.9538	0.504	5	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,4|C<4>,6|H<1>}	107.1890	0.000	1	106.9538	0.504	5	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,3|C<4>,7|H<1>}	107.0750	0.000	1	107.5840	0.244	7	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	107.6688	0.482	6	107.5840	0.244	7	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	107.0650	0.000	1	107.1515	0.015	2	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	107.2380	0.000	1	107.1515	0.015	2	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	108.6390	0.000	1	108.6390	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	108.4217	0.543	3	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.4880	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.9210	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	108.7210	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	107.7430	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,6|H<1>}	108.9050	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.5290	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,7|H<1>}	108.4220	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.0753	0.574	34	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,3|C<4>,7|H<1>}	108.8837	0.582	12	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|O<2>,4|C<4>,6|H<1>}	109.0230	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.0028	0.326	5	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	109.1000	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.0700	0.000	1	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.9895	0.613	44	108.4991	0.554	108	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	107.9100	0.000	1	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.0487	0.219	4	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	108.7530	0.000	1	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|C<4>,5|H<1>}	107.6163	0.259	4	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,5|H<1>}	108.2282	0.374	6	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|F<1>,2|O<2>,3|C<4>,5|H<1>}	108.9810	0.000	1	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	109.0650	0.000	1	108.1521	0.248	18	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<1>,3|C<4>,5|H<1>}	108.3260	0.000	1	108.3260	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[3]C[5]H)(H){1|O<2>,6|C<4>,8|H<1>}	109.2710	0.000	1	109.2710	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	107.7150	0.456	4	107.6065	0.335	6	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	107.3895	0.952	2	107.6065	0.335	6	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,3|C<4>,7|H<1>}	108.4360	0.000	1	108.4360	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	108.7202	1.197	6	108.7336	1.196	7	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){4|C<4>,8|H<1>}	108.8140	0.000	1	108.7336	1.196	7	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|C<4>,8|H<1>}	107.8090	0.736	4	107.8090	0.541	4	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.1010	0.000	1	108.1010	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	107.6260	0.000	1	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	108.8192	0.462	4	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.9325	0.535	2	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.4815	1.364	2	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	109.1490	0.000	1	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	108.4792	0.449	29	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	107.5867	0.725	3	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,8|H<1>}	108.0269	0.510	26	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.6070	0.567	7	108.2731	0.392	75	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,8|H<1>}	107.7950	0.000	1	107.7950	0.000	1	107.5452	1.282	454	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5,5]-4:H-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5,5]C[5]3)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	107.7975	0.792	4	108.0327	0.430	7	108.0327	0.430	7	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	108.3463	0.301	3	108.0327	0.430	7	108.0327	0.430	7	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	107.6805	1.437	608	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	108.7743	0.405	10	108.8768	0.215	12	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	109.3890	0.516	2	108.8768	0.215	12	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	111.7440	0.000	1	111.7440	0.000	1	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	108.7520	0.000	1	108.7520	0.000	1	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	108.4940	0.000	1	108.4940	0.000	1	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	109.0670	0.000	1	108.4670	0.720	2	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.8670	0.000	1	108.4670	0.720	2	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	109.1450	0.000	1	109.1450	0.000	1	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.2440	0.000	1	108.2440	0.000	1	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.0583	0.617	3	108.7746	0.383	5	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	108.3490	0.406	2	108.7746	0.383	5	108.9045	0.602	24	109.1061	1.051	27	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(COO){3|C<4>,6|H<1>}	109.7638	1.071	4	109.7638	1.147	4	109.5290	0.845	6	109.5290	0.845	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(CCO){1|O<2>,2|C<4>,6|H<1>}	109.0595	0.349	2	109.0595	0.122	2	109.5290	0.845	6	109.5290	0.845	6	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<4>,8|H<1>}	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.4280	0.000	1	108.5200	0.392	15	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	108.4472	0.701	4	108.5200	0.392	15	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	108.4583	0.590	10	108.5200	0.392	15	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	108.1410	0.231	2	108.4057	0.237	3	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	108.9350	0.000	1	108.4057	0.237	3	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	108.0500	0.000	1	108.0500	0.000	1	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	109.3560	0.000	1	109.3560	0.000	1	108.5211	0.364	20	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	108.5993	0.410	24	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.1630	0.000	1	108.5667	0.290	3	108.5667	0.290	3	108.5667	0.290	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]O)(C[6]C[6]CC)(H){1|O<2>,4|C<4>,4|H<1>}	108.2685	0.214	2	108.5667	0.290	3	108.5667	0.290	3	108.5667	0.290	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{2|O<2>,3|C<4>,7|H<1>}	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	106.0243	2.941	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	105.0365	0.166	2	105.0365	0.028	2	105.0365	0.028	2	106.0243	2.941	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	107.1860	0.000	1	107.1860	0.000	1	111.2823	12.712	3	110.9973	8.800	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	113.3305	0.504	2	113.3305	0.254	2	111.2823	12.712	3	110.9973	8.800	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6,6]C[6,6]2C)(C[5]O[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	110.9973	8.800	4	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H){1|O<2>,3|C<4>,4|H<1>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.7310	0.000	1	111.0575	0.213	2	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	111.3840	0.000	1	111.0575	0.213	2	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.1100	0.000	1	107.1100	0.000	1	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.1670	0.000	1	109.1670	0.000	1	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,5|H<1>}	106.9415	0.602	2	106.9415	0.362	2	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]CH)(C[6]C[6]CC)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	106.9110	0.000	1	106.9110	0.000	1	108.4551	3.900	7	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	108.1868	0.759	4	107.9024	0.448	8	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	107.6180	0.502	4	107.9024	0.448	8	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.2010	0.021	2	107.5463	0.410	115	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	106.1970	0.000	2	107.5463	0.410	115	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	107.8813	0.414	22	107.5463	0.410	115	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|O<2>,4|C<4>,6|H<1>}	107.4791	0.637	89	107.5463	0.410	115	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	104.6060	0.000	1	104.6060	0.000	1	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,7|H<1>}	113.5110	0.453	2	113.5110	0.205	2	107.6402	1.038	126	107.6789	1.187	134	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	111.8305	1.074	4	111.7660	0.930	6	111.7660	0.930	6	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	112.3910	0.000	1	111.7660	0.930	6	111.7660	0.930	6	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	110.8830	0.000	1	111.7660	0.930	6	111.7660	0.930	6	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.1520	0.000	1	108.1520	0.000	1	108.0836	1.919	5	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	107.5960	0.000	1	107.5960	0.000	1	108.0836	1.919	5	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.6050	0.000	1	106.6050	0.000	1	108.0836	1.919	5	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.3450	0.000	1	109.0325	3.445	2	108.0836	1.919	5	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	107.7200	0.000	1	109.0325	3.445	2	108.0836	1.919	5	110.1658	4.547	12	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.6170	0.000	1	108.8148	0.688	6	108.8631	0.590	7	108.8631	0.590	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.8544	0.921	5	108.8148	0.688	6	108.8631	0.590	7	108.8631	0.590	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.1530	0.000	1	109.1530	0.000	1	108.8631	0.590	7	108.8631	0.590	7	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.8095	1.309	2	109.8095	1.713	2	109.8095	1.713	2	109.8095	1.713	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|N<3>,4|C<4>,6|H<1>}	108.3640	0.000	2	108.3640	0.000	2	108.3640	0.000	2	108.3640	0.000	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:3:3:	4:3:2:1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	110.9140	0.161	2	110.9140	0.026	2	110.9140	0.026	2	110.9140	0.026	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO)	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[6]C)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1	110.3126	7.355	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)(H)2{1|O<2>,3|C<4>,5|H<1>}	111.5212	0.261	4	111.5212	0.068	4	111.5212	0.068	4	110.3126	7.355	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	112.2250	0.371	2	112.2250	0.137	2	112.2250	0.137	2	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	107.4095	0.052	2	107.4095	0.003	2	108.2294	2.305	12	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	110.0105	0.248	2	109.1757	1.494	4	108.2294	2.305	12	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	108.3410	1.278	2	109.1757	1.494	4	108.2294	2.305	12	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	111.3680	0.000	1	111.3680	0.000	1	108.2294	2.305	12	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	107.1726	0.357	5	107.1726	0.128	5	108.2294	2.305	12	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8066	3.777	15	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[5,6]-4:C[5]-4:C[6]-4:S-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CH)(SC[6a]OO){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	111.4190	0.000	1	111.4190	0.000	1	111.1480	0.147	2	111.1480	0.147	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	110.8770	0.000	1	110.8770	0.000	1	111.1480	0.147	2	111.1480	0.147	2	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:3:3:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|N<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO){2|C<4>,7|H<1>}	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,7|C<4>}	112.4615	0.165	2	112.4615	0.027	2	112.4615	0.027	2	111.6037	2.221	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5,5]HO)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	111.6037	2.221	3	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	111.2140	0.000	1	111.2140	0.000	1	110.6235	0.697	2	110.4254	0.343	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,3|C<4>,4|H<1>}	110.0330	0.000	1	110.0330	0.000	1	110.6235	0.697	2	110.4254	0.343	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.4254	0.343	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3){1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|S<4>,2|C<4>,6|H<1>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.4254	0.343	5	111.0827	9.010	4857	111.6753	9.076	9850
474	466	474	6:SP3_SP3_SP3	C[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|O<2>,2|C<4>,6|H<1>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	110.4254	0.343	5	111.0827	9.010	4857	111.6753	9.076	9850